1-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxylic acid Openeye Name: 1-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxylic acid CAS Name: 1-[(4-chloro-3-nitro-1-pyrazolyl)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-chloro-3-nitropyrazol-1-yl)methyl]pyrazole-3-carboxylic acid Traditional Name: 1-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxylic acid Formula: C8H6ClN5O4 MolecularWeight: 271.61734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1C(=O)O)CN2C=C(C(=N2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CN(N=C1C(=O)O)CN2C=C(C(=N2)[N+](=O)[O-])Cl

InChI

InChI=1S/C8H6ClN5O4/c9-5-3-13(11-7(5)14(17)18)4-12-2-1-6(10-12)8(15)16/h1-3H,4H2,(H,15,16)