(1S,5S)-5-(3,4-dimethoxyphenyl)-N,N-dimethyl-6-nitro-cyclohex-2-en-1-amine

Systemtic Name: (1S,5S)-5-(3,4-dimethoxyphenyl)-N,N-dimethyl-6-nitro-cyclohex-2-en-1-amine Openeye Name: (1S,5S)-5-(3,4-dimethoxyphenyl)-N,N-dimethyl-6-nitro-cyclohex-2-en-1-amine CAS Name: (1S,5S)-5-(3,4-dimethoxyphenyl)-N,N-dimethyl-6-nitro-1-cyclohex-2-enamine IUPAC Name: (1S,5S)-5-(3,4-dimethoxyphenyl)-N,N-dimethyl-6-nitrocyclohex-2-en-1-amine Traditional Name: [(1S,5S)-5-(3,4-dimethoxyphenyl)-6-nitro-cyclohex-2-en-1-yl]-dimethyl-amine Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C=CCC(C1[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN(C)[C@H]1C=CC[C@H](C1[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H22N2O4/c1-17(2)13-7-5-6-12(16(13)18(19)20)11-8-9-14(21-3)15(10-11)22-4/h5,7-10,12-13,16H,6H2,1-4H3/t12-,13-,16?/m0/s1