[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO6/c1-11-3-5-13(6-4-11)17(20)12(2)23-16(19)10-8-14-7-9-15(24-14)18(21)22/h3-10,12H,1-2H3/b10-8+/t12-/m0/s1