ethyl 5-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-chloro-5-nitro-benzoyl)amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloro-5-nitrobenzoyl)amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[(2-chloro-5-nitro-benzoyl)amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H15ClN4O5 MolecularWeight: 414.7992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H15ClN4O5/c1-2-29-19(26)15-11-21-23(12-6-4-3-5-7-12)17(15)22-18(25)14-10-13(24(27)28)8-9-16(14)20/h3-11H,2H2,1H3,(H,22,25)