[4-[(E)-3-[(5-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] propanoate

Systemtic Name: [4-[(E)-3-[(5-chloranyl-2-methyl-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] propanoate Openeye Name: [4-[(E)-3-(5-chloro-2-methyl-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] propanoate CAS Name: propanoic acid [4-[(E)-3-(5-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(5-chloro-2-methylanilino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] propanoate Traditional Name: propionic acid [4-[(E)-3-(5-chloro-2-methyl-anilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)Cl)C)OC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)Cl)C)OC

InChI

InChI=1S/C21H19ClN2O4/c1-4-20(25)28-18-8-6-14(10-19(18)27-3)9-15(12-23)21(26)24-17-11-16(22)7-5-13(17)2/h5-11H,4H2,1-3H3,(H,24,26)/b15-9+