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

Systemtic Name: 3-[[2-cyano-3-[4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[4-(2-methoxy-2-oxo-ethoxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[4-(2-methoxy-2-oxoethoxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[4-(2-keto-2-methoxy-ethoxy)phenyl]acryloyl]amino]benzoic acid Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O6/c1-27-18(23)12-28-17-7-5-13(6-8-17)9-15(11-21)19(24)22-16-4-2-3-14(10-16)20(25)26/h2-10H,12H2,1H3,(H,22,24)(H,25,26)