[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C27H20N2O5 MolecularWeight: 452.4581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H20N2O5/c1-16-23(30)20-12-8-13-21(25(20)34-24(16)18-9-4-3-5-10-18)27(32)33-17(2)26(31)29-22-14-7-6-11-19(22)15-28/h3-14,17H,1-2H3,(H,29,31)