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

Systemtic Name: [1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-2-carboxylate Openeye Name: 1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-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=NC3=CC=CC=C3N=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)OC(=O)C2=NC3=CC=CC=C3N=C2

InChI

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