[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C19H15ClN4O5 MolecularWeight: 414.7992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

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