(2S)-1-(4-methylphenyl)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethanone

Systemtic Name: (2S)-1-(4-methylphenyl)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethanone Openeye Name: (2S)-2-nitro-1-(p-tolyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethanone CAS Name: (2S)-1-(4-methylphenyl)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethanone IUPAC Name: (2S)-1-(4-methylphenyl)-2-nitro-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethanone Traditional Name: (2S)-2-nitro-1-(p-tolyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ethanone Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C2=NCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C2=NCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O3/c1-11-6-8-12(9-7-11)15(18)14(17(19)20)13-5-3-2-4-10-16-13/h6-9,14H,2-5,10H2,1H3/t14-/m0/s1