(4-methylphenyl)-(4-nitro-3-propyl-pyrazol-1-yl)methanone

Systemtic Name: (4-methylphenyl)-(4-nitro-3-propyl-pyrazol-1-yl)methanone Openeye Name: (4-nitro-3-propyl-pyrazol-1-yl)-(p-tolyl)methanone CAS Name: (4-methylphenyl)-(4-nitro-3-propyl-1-pyrazolyl)methanone IUPAC Name: (4-methylphenyl)-(4-nitro-3-propylpyrazol-1-yl)methanone Traditional Name: (4-nitro-3-propyl-pyrazol-1-yl)-(p-tolyl)methanone Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C=C1[N+](=O)[O-])C(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC1=NN(C=C1[N+](=O)[O-])C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H15N3O3/c1-3-4-12-13(17(19)20)9-16(15-12)14(18)11-7-5-10(2)6-8-11/h5-9H,3-4H2,1-2H3