2-[[(Z)-2-cyano-3-(4-methoxy-2-oxidanyl-phenyl)prop-2-enoyl]amino]ethanoic acid

Systemtic Name: 2-[[(Z)-2-cyano-3-(4-methoxy-2-oxidanyl-phenyl)prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[(Z)-2-cyano-3-(2-hydroxy-4-methoxy-phenyl)prop-2-enoyl]amino]acetic acid CAS Name: 2-[[(Z)-2-cyano-3-(2-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 2-[[(Z)-2-cyano-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]acetic acid Traditional Name: 2-[[(Z)-2-cyano-3-(2-hydroxy-4-methoxy-phenyl)acryloyl]amino]acetic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=C(C#N)C(=O)NCC(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C(/C#N)\C(=O)NCC(=O)O)O

InChI

InChI=1S/C13H12N2O5/c1-20-10-3-2-8(11(16)5-10)4-9(6-14)13(19)15-7-12(17)18/h2-5,16H,7H2,1H3,(H,15,19)(H,17,18)/b9-4-