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

Systemtic Name: 3-[[2-cyano-3-(2-nitro-5-oxidanyl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(5-hydroxy-2-nitro-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(5-hydroxy-2-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(5-hydroxy-2-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(5-hydroxy-2-nitro-phenyl)acryloyl]amino]benzoic acid Formula: C17H11N3O6 MolecularWeight: 353.28574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O6/c18-9-12(6-11-8-14(21)4-5-15(11)20(25)26)16(22)19-13-3-1-2-10(7-13)17(23)24/h1-8,21H,(H,19,22)(H,23,24)