[(4S)-2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-cyclohexylidene]-(3-nitrophenyl)azanium

Systemtic Name: [(4S)-2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-cyclohexylidene]-(3-nitrophenyl)azanium Openeye Name: [(4S)-2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxo-cyclohexylidene]-(3-nitrophenyl)ammonium CAS Name: [(4S)-4-methoxycarbonyl-5,5-dimethyl-3-oxo-2-(1-oxobutyl)cyclohexylidene]-(3-nitrophenyl)ammonium IUPAC Name: [(4S)-2-butanoyl-4-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexylidene]-(3-nitrophenyl)azanium Traditional Name: [(4S)-2-butyryl-4-carbomethoxy-3-keto-5,5-dimethyl-cyclohexylidene]-(3-nitrophenyl)ammonium Formula: C20H25N2O6+ MolecularWeight: 389.4223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=[NH+]C2=CC(=CC=C2)[N+](=O)[O-])CC(C(C1=O)C(=O)OC)(C)C

Isomeric SMILES

CCCC(=O)C1C(=[NH+]C2=CC(=CC=C2)[N+](=O)[O-])CC([C@@H](C1=O)C(=O)OC)(C)C

InChI

InChI=1S/C20H24N2O6/c1-5-7-15(23)16-14(21-12-8-6-9-13(10-12)22(26)27)11-20(2,3)17(18(16)24)19(25)28-4/h6,8-10,16-17H,5,7,11H2,1-4H3/p+1/t16?,17-/m0/s1