[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-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 [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-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)OCC(=O)N(CC#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H20N2O5/c1-18-24(31)21-13-8-14-22(26(21)34-25(18)19-9-4-2-5-10-19)27(32)33-17-23(30)29(16-15-28)20-11-6-3-7-12-20/h2-14H,16-17H2,1H3