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

Systemtic Name: ethyl 4-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methyl]-3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[(4-chloro-2-nitro-phenyl)-hydroxy-methyl]-3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 4-[(4-chloro-2-nitrophenyl)-hydroxymethyl]-3-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-2-nitrophenyl)-hydroxymethyl]-3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 4-[(4-chloro-2-nitro-phenyl)-hydroxy-methyl]-3-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1)C2=CC=CC=C2)C(C3=C(C=C(C=C3)Cl)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1)C2=CC=CC=C2)C(C3=C(C=C(C=C3)Cl)[N+](=O)[O-])O

InChI

InChI=1S/C19H16ClN3O5/c1-2-28-19(25)17-15(16(21-22-17)11-6-4-3-5-7-11)18(24)13-9-8-12(20)10-14(13)23(26)27/h3-10,18,24H,2H2,1H3,(H,21,22)