ethyl 3-(2-azanyl-4-chloranyl-phenyl)-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate

Systemtic Name: ethyl 3-(2-azanyl-4-chloranyl-phenyl)-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-(2-amino-4-chloro-phenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(2-amino-4-chlorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-amino-4-chlorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-(2-amino-4-chloro-phenyl)-5-keto-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C12H12ClN3O3 MolecularWeight: 281.69498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NNC1=O)C2=C(C=C(C=C2)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(NNC1=O)C2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C12H12ClN3O3/c1-2-19-12(18)9-10(15-16-11(9)17)7-4-3-6(13)5-8(7)14/h3-5H,2,14H2,1H3,(H2,15,16,17)