3-methoxy-N-[1-(4-methylphenyl)propyl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 3-methoxy-N-[1-(4-methylphenyl)propyl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-4-nitro-N-[1-(p-tolyl)propyl]-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-N-[1-(4-methylphenyl)propyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-N-[1-(4-methylphenyl)propyl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-4-nitro-N-[1-(p-tolyl)propyl]-1H-pyrazole-5-carboxamide Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=O)C2=C(C(=NN2)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4/c1-4-11(10-7-5-9(2)6-8-10)16-14(20)12-13(19(21)22)15(23-3)18-17-12/h5-8,11H,4H2,1-3H3,(H,16,20)(H,17,18)