ethyl 5-[(4-chlorophenyl)amino]-6-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 5-[(4-chlorophenyl)amino]-6-cyano-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 5-(4-chloroanilino)-6-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 5-(4-chloroanilino)-6-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chloroanilino)-6-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 5-(4-chloroanilino)-6-cyano-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C16H12ClN5O3 MolecularWeight: 357.75118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNN2C1=NC(=C(C2=O)C#N)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CNN2C1=NC(=C(C2=O)C#N)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN5O3/c1-2-25-16(24)12-8-19-22-14(12)21-13(11(7-18)15(22)23)20-10-5-3-9(17)4-6-10/h3-6,8,19-20H,2H2,1H3