ethyl (E)-3-[7-methoxy-3-(4-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]but-2-enoate

Base Information

• Chemical Name: ethyl (E)-3-[7-methoxy-3-(4-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]but-2-enoate
• CAS No.: 5210-23-1
• Molecular Formula: C24H25N3O5
• Molecular Weight: 435.5
• DSSTox Substance ID: DTXSID40416727

Synonyms:5210-23-1;ethyl (E)-3-[7-methoxy-3-(4-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]but-2-enoate;AC1NSPRB;DTXSID40416727

Chemical Property of ethyl (E)-3-[7-methoxy-3-(4-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]but-2-enoate

Chemical Property:

• Vapor Pressure: 2.11E-14mmHg at 25°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 435.17942091
• Heavy Atom Count: 32
• Complexity: 768

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C=C(C)N1C(C2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]
• Isomeric SMILES: CCOC(=O)/C=C(\C)/N1C(C2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]

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