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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-prop-2-enylbenzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC=C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC=C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3/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/h4-8H,1,9-10H2,2-3H3,(H,17,21)