(2S)-1-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-nitro-propan-1-one

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-nitro-propan-1-one Openeye Name: (2S)-1-(1,3-benzodioxol-5-yl)-3-nitro-2-(p-tolyl)propan-1-one CAS Name: (2S)-1-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-nitro-1-propanone IUPAC Name: (2S)-1-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-nitropropan-1-one Traditional Name: (2S)-1-(1,3-benzodioxol-5-yl)-3-nitro-2-(p-tolyl)propan-1-one Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H15NO5/c1-11-2-4-12(5-3-11)14(9-18(20)21)17(19)13-6-7-15-16(8-13)23-10-22-15/h2-8,14H,9-10H2,1H3/t14-/m1/s1