ethyl 4-(2-azanyl-4-chloranyl-phenyl)carbonyl-3-(phenylcarbonyl)-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-(2-azanyl-4-chloranyl-phenyl)carbonyl-3-(phenylcarbonyl)-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-(2-amino-4-chloro-benzoyl)-3-benzoyl-1H-pyrazole-5-carboxylate CAS Name: 4-[(2-amino-4-chlorophenyl)-oxomethyl]-3-benzoyl-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-amino-4-chlorobenzoyl)-3-benzoyl-1H-pyrazole-5-carboxylate Traditional Name: 4-(2-amino-4-chloro-benzoyl)-3-benzoyl-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1)C(=O)C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1)C(=O)C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)Cl)N

InChI

InChI=1S/C20H16ClN3O4/c1-2-28-20(27)17-15(19(26)13-9-8-12(21)10-14(13)22)16(23-24-17)18(25)11-6-4-3-5-7-11/h3-10H,2,22H2,1H3,(H,23,24)