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

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-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-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-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-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C14H13ClN4O6 MolecularWeight: 368.72922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN4O6/c1-7(25-14(22)10-4-5-12(20)18-17-10)13(21)16-11-6-8(19(23)24)2-3-9(11)15/h2-3,6-7H,4-5H2,1H3,(H,16,21)(H,18,20)