[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 1-ethyl-3-methyl-2-oxo-quinoxaline-6-carboxylate CAS Name: 1-ethyl-3-methyl-2-oxo-6-quinoxalinecarboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate Traditional Name: 1-ethyl-2-keto-3-methyl-quinoxaline-6-carboxylic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Br)C)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Br)C)N=C(C1=O)C

InChI

InChI=1S/C21H20BrN3O4/c1-4-25-18-8-5-14(10-17(18)23-13(3)20(25)27)21(28)29-11-19(26)24-15-6-7-16(22)12(2)9-15/h5-10H,4,11H2,1-3H3,(H,24,26)