4-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: 4-[(4-chloranyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-2-methyl-pyrazole-3-carboxylate Openeye Name: 4-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-2-methyl-pyrazole-3-carboxylate CAS Name: 4-[[(4-chloro-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-2-methyl-3-pyrazolecarboxylate IUPAC Name: 4-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-2-methylpyrazole-3-carboxylate Traditional Name: 4-[(4-chloro-3-nitro-1H-pyrazole-5-carbonyl)amino]-2-methyl-pyrazole-3-carboxylate Formula: C9H6ClN6O5- MolecularWeight: 313.63414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl)C(=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl)C(=O)[O-]

InChI

InChI=1S/C9H7ClN6O5/c1-15-6(9(18)19)3(2-11-15)12-8(17)5-4(10)7(14-13-5)16(20)21/h2H,1H3,(H,12,17)(H,13,14)(H,18,19)/p-1