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

Systemtic Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 3-chloranylbenzoate Openeye Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxo-prop-1-enyl]phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]phenyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-[(E)-3-(butylamino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3/c1-2-3-11-24-20(25)17(14-23)12-15-7-9-19(10-8-15)27-21(26)16-5-4-6-18(22)13-16/h4-10,12-13H,2-3,11H2,1H3,(H,24,25)/b17-12+