(2S)-5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]cyclohex-3-en-1-one

Systemtic Name: (2S)-5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]cyclohex-3-en-1-one Openeye Name: (2S)-3-(benzylamino)-5,5-dimethyl-2-nitro-cyclohex-3-en-1-one CAS Name: (2S)-5,5-dimethyl-2-nitro-3-[(phenylmethyl)amino]-1-cyclohex-3-enone IUPAC Name: (2S)-3-(benzylamino)-5,5-dimethyl-2-nitrocyclohex-3-en-1-one Traditional Name: (2S)-3-(benzylamino)-5,5-dimethyl-2-nitro-cyclohex-3-en-1-one Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=C1)NCC2=CC=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)[C@H](C(=C1)NCC2=CC=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H18N2O3/c1-15(2)8-12(14(17(19)20)13(18)9-15)16-10-11-6-4-3-5-7-11/h3-8,14,16H,9-10H2,1-2H3/t14-/m0/s1