2-[[(E)-2-cyano-3-(7-methoxy-2H-chromen-3-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-(7-methoxy-2H-chromen-3-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(7-methoxy-2H-chromen-3-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-(7-methoxy-2H-1-benzopyran-3-yl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(7-methoxy-2H-chromen-3-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(7-methoxy-2H-chromen-3-yl)acryloyl]amino]benzoic acid Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(CO2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(CO2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H16N2O5/c1-27-16-7-6-14-8-13(12-28-19(14)10-16)9-15(11-22)20(24)23-18-5-3-2-4-17(18)21(25)26/h2-10H,12H2,1H3,(H,23,24)(H,25,26)/b15-9+