5-[[3-Carboxy-4-[(3-nitrobenzoyl)amino]phenyl]methyl]-2-[(3-nitrobenzoyl)amino]benzoic acid

Base Information

• Chemical Name: 5-[[3-Carboxy-4-[(3-nitrobenzoyl)amino]phenyl]methyl]-2-[(3-nitrobenzoyl)amino]benzoic acid
• CAS No.: 351891-58-2
• Molecular Formula: C29H20N4O10
• UNII: V8PCK7UON0
• Nikkaji Number: J1.913.143B
• ChEMBL ID: CHEMBL365182
• Mol file: 351891-58-2.mol

Synonyms:V8PCK7UON0;UNII-V8PCK7UON0;C-467929;CB-467929;CHEMBL365182;351891-58-2;3,3'-Methylenebis(6-((3-nitrobenzoyl)amino)benzoic acid);Benzoic acid, 3,3'-methylenebis(6-((3-nitrobenzoyl)amino)-;Benzoic acid, 3,3'-methylenebis[6-[(3-nitrobenzoyl)amino]-;Oprea1_192207;SCHEMBL4950322;SCHEMBL14418381;BDBM50162334;STK062300;AKOS003241741;5-[[3-carboxy-4-[(3-nitrobenzoyl)amino]phenyl]methyl]-2-[(3-nitrobenzoyl)amino]benzoic acid;3,3'-methanediylbis(6-{[(3-nitrophenyl)carbonyl]amino}benzoic acid);5-[3-carboxy-4-(3-nitrophenylcarboxamido)benzyl]-2-(3-nitrophenylcarboxamido)benzoic acid

Chemical Property of 5-[[3-Carboxy-4-[(3-nitrobenzoyl)amino]phenyl]methyl]-2-[(3-nitrobenzoyl)amino]benzoic acid

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 584.11794285
• Heavy Atom Count: 43
• Complexity: 993

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• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O)C(=O)O

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