3-[[2-cyano-3-[1-[(3-nitrophenyl)methyl]indol-3-yl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[1-[(3-nitrophenyl)methyl]indol-3-yl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[1-[(3-nitrophenyl)methyl]indol-3-yl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[1-[(3-nitrophenyl)methyl]-3-indolyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[1-[(3-nitrophenyl)methyl]indol-3-yl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[1-(3-nitrobenzyl)indol-3-yl]acryloyl]amino]benzoic acid Formula: C26H18N4O5 MolecularWeight: 466.44492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)[N+](=O)[O-])C=C(C#N)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)[N+](=O)[O-])C=C(C#N)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H18N4O5/c27-14-19(25(31)28-21-7-4-6-18(13-21)26(32)33)12-20-16-29(24-10-2-1-9-23(20)24)15-17-5-3-8-22(11-17)30(34)35/h1-13,16H,15H2,(H,28,31)(H,32,33)