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

Systemtic Name: ethyl 4-[(4-chlorophenyl)carbamoyl]-2-methyl-3-oxidanylidene-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)carbamoyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxylate CAS Name: 4-[(4-chloroanilino)-oxomethyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)carbamoyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxylate Traditional Name: 4-[(4-chlorophenyl)carbamoyl]-5-keto-1-methyl-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C14H14ClN3O4 MolecularWeight: 323.73166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O4/c1-3-22-14(21)11-10(13(20)18(2)17-11)12(19)16-9-6-4-8(15)5-7-9/h4-7,17H,3H2,1-2H3,(H,16,19)