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

Systemtic Name: 4-[[(E)-2-cyano-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-[4-(cyanomethoxy)-3-methoxyphenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acryloyl]amino]benzoic acid Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O5/c1-27-18-11-13(2-7-17(18)28-9-8-21)10-15(12-22)19(24)23-16-5-3-14(4-6-16)20(25)26/h2-7,10-11H,9H2,1H3,(H,23,24)(H,25,26)/b15-10+