4-[1-cyano-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[1-[(4-nitrophenyl)methyl]-3-indolyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[1-[(4-nitrophenyl)methyl]indol-3-yl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[1-(4-nitrobenzyl)indol-3-yl]vinyl]benzoic acid Formula: C25H17N3O4 MolecularWeight: 423.42018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])C=C(C#N)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])C=C(C#N)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H17N3O4/c26-14-20(18-7-9-19(10-8-18)25(29)30)13-21-16-27(24-4-2-1-3-23(21)24)15-17-5-11-22(12-6-17)28(31)32/h1-13,16H,15H2,(H,29,30)