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

Systemtic Name: ethyl 3-[2-azanyl-4,5-bis(chloranyl)phenyl]-5-oxidanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-(2-amino-4,5-dichloro-phenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(2-amino-4,5-dichlorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-amino-4,5-dichlorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-(2-amino-4,5-dichloro-phenyl)-5-keto-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C12H11Cl2N3O3 MolecularWeight: 316.14004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NNC1=O)C2=CC(=C(C=C2N)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(NNC1=O)C2=CC(=C(C=C2N)Cl)Cl

InChI

InChI=1S/C12H11Cl2N3O3/c1-2-20-12(19)9-10(16-17-11(9)18)5-3-6(13)7(14)4-8(5)15/h3-4H,2,15H2,1H3,(H2,16,17,18)