(1R,6S)-3,4-dimethyl-6-nitro-6-(3-oxidanylidenebutyl)cyclohex-3-ene-1-carbaldehyde

Systemtic Name: (1R,6S)-3,4-dimethyl-6-nitro-6-(3-oxidanylidenebutyl)cyclohex-3-ene-1-carbaldehyde Openeye Name: (1R,6S)-3,4-dimethyl-6-nitro-6-(3-oxobutyl)cyclohex-3-ene-1-carbaldehyde CAS Name: (1R,6S)-3,4-dimethyl-6-nitro-6-(3-oxobutyl)-1-cyclohex-3-enecarboxaldehyde IUPAC Name: (1R,6S)-3,4-dimethyl-6-nitro-6-(3-oxobutyl)cyclohex-3-ene-1-carbaldehyde Traditional Name: (1R,6S)-6-(3-ketobutyl)-3,4-dimethyl-6-nitro-cyclohex-3-ene-1-carbaldehyde Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C[C@]([C@@H](C1)C=O)(CCC(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H19NO4/c1-9-6-12(8-15)13(14(17)18,7-10(9)2)5-4-11(3)16/h8,12H,4-7H2,1-3H3/t12-,13-/m0/s1