3-[[3-[4-(carboxymethyloxy)-3-methoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[4-(carboxymethyloxy)-3-methoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[4-(carboxymethyloxy)-3-methoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[4-(carboxymethyloxy)-3-methoxyphenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[4-(carboxymethyloxy)-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[4-(carboxymethyloxy)-3-methoxy-phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C20H16N2O7 MolecularWeight: 396.35024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC(=O)O

InChI

InChI=1S/C20H16N2O7/c1-28-17-8-12(5-6-16(17)29-11-18(23)24)7-14(10-21)19(25)22-15-4-2-3-13(9-15)20(26)27/h2-9H,11H2,1H3,(H,22,25)(H,23,24)(H,26,27)