methyl 3-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 3-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 3-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-2-cyano-1-oxo-3-(2-propoxyphenyl)prop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-2-cyano-3-(2-propoxyphenyl)acryloyl]amino]benzoic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C21H20N2O4/c1-3-11-27-19-10-5-4-7-15(19)12-17(14-22)20(24)23-18-9-6-8-16(13-18)21(25)26-2/h4-10,12-13H,3,11H2,1-2H3,(H,23,24)/b17-12+