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

Systemtic Name: 3-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-4-nitro-N-[1-(o-tolylmethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-N-[1-(2-methylbenzyl)pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O4/c1-10-5-3-4-6-11(10)8-21-9-12(7-17-21)18-15(23)13-14(22(24)25)16(26-2)20-19-13/h3-7,9H,8H2,1-2H3,(H,18,23)(H,19,20)