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

Systemtic Name: 4,5-dimethoxy-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4,5-dimethoxy-2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]benzoic acid Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H16N2O7/c1-26-15-9-13(18(22)23)14(10-16(15)27-2)19-17(21)8-5-11-3-6-12(7-4-11)20(24)25/h3-10H,1-2H3,(H,19,21)(H,22,23)/b8-5+