[4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(4-chlorophenyl)carbonylbenzoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C28H21ClN2O5 MolecularWeight: 500.92974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC=C)OC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC=C)OC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C28H21ClN2O5/c1-3-14-31-27(33)20(17-30)15-18-8-13-24(25(16-18)35-2)36-28(34)23-7-5-4-6-22(23)26(32)19-9-11-21(29)12-10-19/h3-13,15-16H,1,14H2,2H3,(H,31,33)