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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-propyl-benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-propyl-benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-propylbenzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylbenzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-propyl-benzamide Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=C(C=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCCNC(=O)C1=CC=C(C=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N4O3/c1-4-9-17-16(21)14-7-5-13(6-8-14)10-19-12(3)15(20(22)23)11(2)18-19/h5-8H,4,9-10H2,1-3H3,(H,17,21)