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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-(hydroxymethyl)phenyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-(hydroxymethyl)phenyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[3-(hydroxymethyl)phenyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-(hydroxymethyl)phenyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-methylolphenyl)benzamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)CO)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)CO)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c1-13-19(24(27)28)14(2)23(22-13)11-15-6-8-17(9-7-15)20(26)21-18-5-3-4-16(10-18)12-25/h3-10,25H,11-12H2,1-2H3,(H,21,26)