[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C17H19ClN4O5 MolecularWeight: 394.80956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])Cl)CC(C)C

InChI

InChI=1S/C17H19ClN4O5/c1-10(2)8-21-16(18)15(11(3)20-21)17(24)27-9-14(23)19-12-5-4-6-13(7-12)22(25)26/h4-7,10H,8-9H2,1-3H3,(H,19,23)