methyl 4-[(E)-3-[(3-chloranyl-2,6-diethyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(3-chloranyl-2,6-diethyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(3-chloro-2,6-diethyl-anilino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(3-chloro-2,6-diethylanilino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(3-chloro-2,6-diethylanilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(3-chloro-2,6-diethyl-anilino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H22ClNO3/c1-4-15-11-12-18(22)17(5-2)20(15)23-19(24)13-8-14-6-9-16(10-7-14)21(25)26-3/h6-13H,4-5H2,1-3H3,(H,23,24)/b13-8+