ethyl 4-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]benzoate CAS Name: 4-[[(4-chloro-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]benzoate Traditional Name: 4-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]benzoic acid ethyl ester Formula: C13H11ClN4O5 MolecularWeight: 338.70324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H11ClN4O5/c1-2-23-13(20)7-3-5-8(6-4-7)15-12(19)10-9(14)11(17-16-10)18(21)22/h3-6H,2H2,1H3,(H,15,19)(H,16,17)