3-[[2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)acryloyl]amino]benzoic acid Formula: C19H15N3O7 MolecularWeight: 397.3383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C19H15N3O7/c1-28-16-8-12(15(22(26)27)9-17(16)29-2)6-13(10-20)18(23)21-14-5-3-4-11(7-14)19(24)25/h3-9H,1-2H3,(H,21,23)(H,24,25)