ethyl 5-chloranyl-4-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]-2-methoxy-benzoate

Systemtic Name: ethyl 5-chloranyl-4-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]-2-methoxy-benzoate Openeye Name: ethyl 5-chloro-4-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]-2-methoxy-benzoate CAS Name: 5-chloro-4-[[(E)-2-cyano-1-oxo-3-phenylprop-2-enyl]amino]-2-methoxybenzoic acid ethyl ester IUPAC Name: ethyl 5-chloro-4-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-2-methoxybenzoate Traditional Name: 5-chloro-4-[[(E)-2-cyano-3-phenyl-acryloyl]amino]-2-methoxy-benzoic acid ethyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1OC)NC(=O)C(=CC2=CC=CC=C2)C#N)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1OC)NC(=O)/C(=C/C2=CC=CC=C2)/C#N)Cl

InChI

InChI=1S/C20H17ClN2O4/c1-3-27-20(25)15-10-16(21)17(11-18(15)26-2)23-19(24)14(12-22)9-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,23,24)/b14-9+