ethyl 5-azanyl-1-(5-chloranyl-2-nitro-phenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(5-chloranyl-2-nitro-phenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(5-chloro-2-nitro-phenyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-(5-chloro-2-nitrophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(5-chloro-2-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-(5-chloro-2-nitro-phenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C12H11ClN4O4 MolecularWeight: 310.69314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C12H11ClN4O4/c1-2-21-12(18)8-6-15-16(11(8)14)10-5-7(13)3-4-9(10)17(19)20/h3-6H,2,14H2,1H3