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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]phenyl] 2-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-[(E)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]phenyl] ester Formula: C25H19ClN2O3 MolecularWeight: 430.88296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Cl)/C#N

InChI

InChI=1S/C25H19ClN2O3/c26-23-9-5-4-8-22(23)25(30)31-21-12-10-19(11-13-21)16-20(17-27)24(29)28-15-14-18-6-2-1-3-7-18/h1-13,16H,14-15H2,(H,28,29)/b20-16+