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

Systemtic Name: 2-methoxy-5-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[(E)-3-(4-nitrophenyl)acryloyl]amino]methyl]benzoic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6/c1-26-16-8-4-13(10-15(16)18(22)23)11-19-17(21)9-5-12-2-6-14(7-3-12)20(24)25/h2-10H,11H2,1H3,(H,19,21)(H,22,23)/b9-5+