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

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 4-(2-oxidanylidene-2-phenyl-ethanoyl)benzoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-(2-oxo-2-phenyl-acetyl)benzoate CAS Name: 4-(1,2-dioxo-2-phenylethyl)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] 4-(2-oxo-2-phenylacetyl)benzoate Traditional Name: 4-(2-keto-2-phenyl-acetyl)benzoic acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C29H22N2O6 MolecularWeight: 494.49478

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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=C(C=C2)C(=O)C(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C29H22N2O6/c1-3-15-31-28(34)23(18-30)16-19-9-14-24(25(17-19)36-2)37-29(35)22-12-10-21(11-13-22)27(33)26(32)20-7-5-4-6-8-20/h3-14,16-17H,1,15H2,2H3,(H,31,34)