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

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1H-pyrazole-5-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C18H13ClN4O5 MolecularWeight: 400.77262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=CC=NN3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=CC=NN3

InChI

InChI=1S/C18H13ClN4O5/c19-13-10-12(23(26)27)6-7-14(13)21-17(24)16(11-4-2-1-3-5-11)28-18(25)15-8-9-20-22-15/h1-10,16H,(H,20,22)(H,21,24)