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

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

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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

Isomeric SMILES

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

InChI

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