[4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 4-chloranylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 4-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[(E)-2-cyano-3-keto-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)OC)C#N

Isomeric SMILES

CCCNC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)OC)/C#N

InChI

InChI=1S/C21H19ClN2O4/c1-3-10-24-20(25)16(13-23)11-14-4-9-18(19(12-14)27-2)28-21(26)15-5-7-17(22)8-6-15/h4-9,11-12H,3,10H2,1-2H3,(H,24,25)/b16-11+