(E)-3-(1-methylpyrazol-4-yl)-2-nitro-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(1-methylpyrazol-4-yl)-2-nitro-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(1-methylpyrazol-4-yl)-2-nitro-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-(1-methyl-4-pyrazolyl)-2-nitro-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(1-methylpyrazol-4-yl)-2-nitro-1-phenylprop-2-en-1-one Traditional Name: (E)-3-(1-methylpyrazol-4-yl)-2-nitro-1-phenyl-prop-2-en-1-one Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=C(C(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)/C=C(\C(=O)C2=CC=CC=C2)/[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O3/c1-15-9-10(8-14-15)7-12(16(18)19)13(17)11-5-3-2-4-6-11/h2-9H,1H3/b12-7+