4-chloranyl-3-nitro-N-[1-(phenylmethyl)pyrazol-3-yl]-1H-pyrazole-5-carboxamide

Systemtic Name: 4-chloranyl-3-nitro-N-[1-(phenylmethyl)pyrazol-3-yl]-1H-pyrazole-5-carboxamide Openeye Name: N-(1-benzylpyrazol-3-yl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-3-nitro-N-[1-(phenylmethyl)-3-pyrazolyl]-1H-pyrazole-5-carboxamide IUPAC Name: N-(1-benzylpyrazol-3-yl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(1-benzylpyrazol-3-yl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Formula: C14H11ClN6O3 MolecularWeight: 346.72854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN6O3/c15-11-12(17-18-13(11)21(23)24)14(22)16-10-6-7-20(19-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)(H,16,19,22)