(2S)-1-[(4aS,5S,8R,8aS)-5,8-dimethyl-7-nitro-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-2-(methoxymethyl)pyrrolidine

Systemtic Name: (2S)-1-[(4aS,5S,8R,8aS)-5,8-dimethyl-7-nitro-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-2-(methoxymethyl)pyrrolidine Openeye Name: (2S)-1-[(4aS,5S,8R,8aS)-5,8-dimethyl-7-nitro-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-2-(methoxymethyl)pyrrolidine CAS Name: (2S)-1-[(4aS,5S,8R,8aS)-5,8-dimethyl-7-nitro-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-2-(methoxymethyl)pyrrolidine IUPAC Name: (2S)-1-[(4aS,5S,8R,8aS)-5,8-dimethyl-7-nitro-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-2-(methoxymethyl)pyrrolidine Traditional Name: (2S)-1-[(4aS,5S,8R,8aS)-5,8-dimethyl-7-nitro-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-2-(methoxymethyl)pyrrolidine Formula: C18H30N2O3 MolecularWeight: 322.4424

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(C2C1(CCCC2)N3CCCC3COC)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C=C([C@@H]([C@H]2[C@@]1(CCCC2)N3CCC[C@H]3COC)C)[N+](=O)[O-]

InChI

InChI=1S/C18H30N2O3/c1-13-11-17(20(21)22)14(2)16-8-4-5-9-18(13,16)19-10-6-7-15(19)12-23-3/h11,13-16H,4-10,12H2,1-3H3/t13-,14+,15-,16-,18-/m0/s1