[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C)C)C

InChI

InChI=1S/C21H20N4O5/c1-11-5-8-18(25(28)29)20(12(11)2)24-19(26)10-30-21(27)15-6-7-16-17(9-15)23-14(4)13(3)22-16/h5-9H,10H2,1-4H3,(H,24,26)