[1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate

Systemtic Name: [1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate Openeye Name: [2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 2,3-diphenylquinoxaline-6-carboxylate CAS Name: 2,3-diphenyl-6-quinoxalinecarboxylic acid [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate Traditional Name: 2,3-diphenylquinoxaline-6-carboxylic acid [2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C31H24ClN3O3 MolecularWeight: 521.99356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H24ClN3O3/c1-19-24(32)14-9-15-25(19)35-30(36)20(2)38-31(37)23-16-17-26-27(18-23)34-29(22-12-7-4-8-13-22)28(33-26)21-10-5-3-6-11-21/h3-18,20H,1-2H3,(H,35,36)