[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C14H14N4O6 MolecularWeight: 334.28416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=NNC(=O)CC2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=NNC(=O)CC2

InChI

InChI=1S/C14H14N4O6/c1-8(24-14(21)11-5-6-12(19)17-16-11)13(20)15-9-3-2-4-10(7-9)18(22)23/h2-4,7-8H,5-6H2,1H3,(H,15,20)(H,17,19)