3-chloranyl-4-methoxy-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-chloranyl-4-methoxy-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-chloro-4-methoxy-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-chloro-4-methoxy-5-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-chloro-4-methoxy-5-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-chloro-4-methoxy-5-[[(E)-3-(3-nitrophenyl)acryloyl]amino]benzoic acid Formula: C17H13ClN2O6 MolecularWeight: 376.74792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN2O6/c1-26-16-13(18)8-11(17(22)23)9-14(16)19-15(21)6-5-10-3-2-4-12(7-10)20(24)25/h2-9H,1H3,(H,19,21)(H,22,23)/b6-5+