3-[[2-cyano-3-[4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[4-[(4-nitrophenyl)methoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[4-(4-nitrobenzyl)oxyphenyl]acryloyl]amino]benzoic acid Formula: C24H17N3O6 MolecularWeight: 443.40828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C#N)C(=O)O

InChI

InChI=1S/C24H17N3O6/c25-14-19(23(28)26-20-3-1-2-18(13-20)24(29)30)12-16-6-10-22(11-7-16)33-15-17-4-8-21(9-5-17)27(31)32/h1-13H,15H2,(H,26,28)(H,29,30)