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

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C19H15ClN4O5 MolecularWeight: 414.7992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H15ClN4O5/c1-12-17(18(20)23(22-12)14-5-3-2-4-6-14)19(26)29-11-16(25)21-13-7-9-15(10-8-13)24(27)28/h2-10H,11H2,1H3,(H,21,25)