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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

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