3-methoxy-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 3-methoxy-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-4-nitro-N-[1-(o-tolylmethyl)-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-N-[1-(2-methylbenzyl)-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C15H15N7O4 MolecularWeight: 357.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)C3=C(C(=NN3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=NC(=N2)NC(=O)C3=C(C(=NN3)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H15N7O4/c1-9-5-3-4-6-10(9)7-21-8-16-15(20-21)17-13(23)11-12(22(24)25)14(26-2)19-18-11/h3-6,8H,7H2,1-2H3,(H,18,19)(H,17,20,23)