N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-nitro-benzamide

Systemtic Name: N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-nitro-benzamide Openeye Name: N-[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]-3-nitro-benzamide CAS Name: N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-nitrobenzamide Traditional Name: N-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]-3-nitro-benzamide Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O3/c1-13-7-9-16(10-8-13)12-23-15(3)19(14(2)22-23)21-20(25)17-5-4-6-18(11-17)24(26)27/h4-11H,12H2,1-3H3,(H,21,25)