(3S)-3-methyl-2-[(1S,5R,6R)-6-nitro-5-phenyl-cyclohex-2-en-1-yl]-3H-isoindol-1-one

Systemtic Name: (3S)-3-methyl-2-[(1S,5R,6R)-6-nitro-5-phenyl-cyclohex-2-en-1-yl]-3H-isoindol-1-one Openeye Name: (3S)-3-methyl-2-[(1S,5R,6R)-6-nitro-5-phenyl-cyclohex-2-en-1-yl]isoindolin-1-one CAS Name: (3S)-3-methyl-2-[(1S,5R,6R)-6-nitro-5-phenyl-1-cyclohex-2-enyl]-3H-isoindol-1-one IUPAC Name: (3S)-3-methyl-2-[(1S,5R,6R)-6-nitro-5-phenylcyclohex-2-en-1-yl]-3H-isoindol-1-one Traditional Name: (3S)-3-methyl-2-[(1S,5R,6R)-6-nitro-5-phenyl-cyclohex-2-en-1-yl]isoindolin-1-one Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C(=O)N1C3C=CCC(C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C[C@H]1C2=CC=CC=C2C(=O)N1[C@H]3C=CC[C@@H]([C@H]3[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3/c1-14-16-10-5-6-11-18(16)21(24)22(14)19-13-7-12-17(20(19)23(25)26)15-8-3-2-4-9-15/h2-11,13-14,17,19-20H,12H2,1H3/t14-,17+,19-,20+/m0/s1