4-[[(E)-2-cyano-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: 4-[[(E)-2-cyano-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(3-hydroxy-4-methoxy-phenyl)acryloyl]amino]benzoate Formula: C18H13N2O5- MolecularWeight: 337.30622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)[O-])O

InChI

InChI=1S/C18H14N2O5/c1-25-16-7-2-11(9-15(16)21)8-13(10-19)17(22)20-14-5-3-12(4-6-14)18(23)24/h2-9,21H,1H3,(H,20,22)(H,23,24)/p-1/b13-8+