(E)-1-(4-methylphenyl)-2-nitro-non-1-en-3-one

Systemtic Name: (E)-1-(4-methylphenyl)-2-nitro-non-1-en-3-one Openeye Name: (E)-2-nitro-1-(p-tolyl)non-1-en-3-one CAS Name: (E)-1-(4-methylphenyl)-2-nitro-1-nonen-3-one IUPAC Name: (E)-1-(4-methylphenyl)-2-nitronon-1-en-3-one Traditional Name: (E)-2-nitro-1-(p-tolyl)non-1-en-3-one Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C(=CC1=CC=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(=O)/C(=C\C1=CC=C(C=C1)C)/[N+](=O)[O-]

InChI

InChI=1S/C16H21NO3/c1-3-4-5-6-7-16(18)15(17(19)20)12-14-10-8-13(2)9-11-14/h8-12H,3-7H2,1-2H3/b15-12+