[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H17ClN4O5 MolecularWeight: 380.78298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN4O5/c1-8-14(9(2)20(4)19-8)16(23)26-10(3)15(22)18-13-7-11(21(24)25)5-6-12(13)17/h5-7,10H,1-4H3,(H,18,22)