N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[1-(3-chlorobenzyl)-1,2,4-triazol-3-yl]-2-methyl-4-nitro-pyrazole-3-carboxamide Formula: C14H12ClN7O3 MolecularWeight: 361.74318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NN(C=N2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NN(C=N2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H12ClN7O3/c1-20-12(11(6-17-20)22(24)25)13(23)18-14-16-8-21(19-14)7-9-3-2-4-10(15)5-9/h2-6,8H,7H2,1H3,(H,18,19,23)