N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-benzamide

Systemtic Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[1-(o-tolylmethyl)pyrazol-4-yl]benzamide CAS Name: N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-4-nitrobenzamide IUPAC Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-nitrobenzamide Traditional Name: N-[1-(2-methylbenzyl)pyrazol-4-yl]-4-nitro-benzamide Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3/c1-13-4-2-3-5-15(13)11-21-12-16(10-19-21)20-18(23)14-6-8-17(9-7-14)22(24)25/h2-10,12H,11H2,1H3,(H,20,23)