[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate

Systemtic Name: [1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate Openeye Name: 1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid 1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)OC(=O)C2=C3C(=CC=C2)N=CC=N3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)OC(=O)C2=C3C(=CC=C2)N=CC=N3

InChI

InChI=1S/C20H18N4O5/c1-3-17(19(25)23-16-11-13(24(27)28)8-7-12(16)2)29-20(26)14-5-4-6-15-18(14)22-10-9-21-15/h4-11,17H,3H2,1-2H3,(H,23,25)