1-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C10H10ClN5O4 MolecularWeight: 299.6705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=NN1CN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C10H10ClN5O4/c1-5-8(11)6(2)15(12-5)4-14-3-7(16(19)20)9(13-14)10(17)18/h3H,4H2,1-2H3,(H,17,18)