6-methyl-3-[(1S)-1-(4-methylphenyl)-2-nitro-ethyl]-4-oxidanylidene-pyran-2-olate

Systemtic Name: 6-methyl-3-[(1S)-1-(4-methylphenyl)-2-nitro-ethyl]-4-oxidanylidene-pyran-2-olate Openeye Name: 6-methyl-3-[(1S)-2-nitro-1-(p-tolyl)ethyl]-4-oxo-pyran-2-olate CAS Name: 6-methyl-3-[(1S)-1-(4-methylphenyl)-2-nitroethyl]-4-oxo-2-pyranolate IUPAC Name: 6-methyl-3-[(1S)-1-(4-methylphenyl)-2-nitroethyl]-4-oxopyran-2-olate Traditional Name: 4-keto-6-methyl-3-[(1S)-2-nitro-1-(p-tolyl)ethyl]pyran-2-olate Formula: C15H14NO5- MolecularWeight: 288.27536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=C(OC(=CC2=O)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[N+](=O)[O-])C2=C(OC(=CC2=O)C)[O-]

InChI

InChI=1S/C15H15NO5/c1-9-3-5-11(6-4-9)12(8-16(19)20)14-13(17)7-10(2)21-15(14)18/h3-7,12,18H,8H2,1-2H3/p-1/t12-/m0/s1