[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])N=C1C

InChI

InChI=1S/C20H18N4O5/c1-11-12(2)22-18-9-14(7-8-17(18)21-11)20(26)29-13(3)19(25)23-15-5-4-6-16(10-15)24(27)28/h4-10,13H,1-3H3,(H,23,25)