4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-ethyl-6-methyl-phenyl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-ethyl-6-methyl-phenyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-ethyl-6-methyl-phenyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(2-ethyl-6-methylphenyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-ethyl-6-methylphenyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-ethyl-6-methyl-phenyl)benzamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C22H24N4O3/c1-5-18-8-6-7-14(2)20(18)23-22(27)19-11-9-17(10-12-19)13-25-16(4)21(26(28)29)15(3)24-25/h6-12H,5,13H2,1-4H3,(H,23,27)