ethyl 2-[(4-chlorophenyl)carbamoyl]-3-oxidanylidene-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 2-[(4-chlorophenyl)carbamoyl]-3-oxidanylidene-1H-pyrazole-5-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)carbamoyl]-3-oxo-1H-pyrazole-5-carboxylate CAS Name: 2-[(4-chloroanilino)-oxomethyl]-3-oxo-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)carbamoyl]-3-oxo-1H-pyrazole-5-carboxylate Traditional Name: 1-[(4-chlorophenyl)carbamoyl]-5-keto-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C13H12ClN3O4 MolecularWeight: 309.70508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)N(N1)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=O)N(N1)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H12ClN3O4/c1-2-21-12(19)10-7-11(18)17(16-10)13(20)15-9-5-3-8(14)4-6-9/h3-7,16H,2H2,1H3,(H,15,20)