N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-3-methyl-4-nitro-benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-13-7-5-6-8-18(13)12-24-16(4)20(15(3)23-24)22-21(26)17-9-10-19(25(27)28)14(2)11-17/h5-11H,12H2,1-4H3,(H,22,26)