(2-butanoyl-5,5-dimethyl-3-oxidanylidene-cyclohexylidene)-(4-nitrophenyl)azanium

Systemtic Name: (2-butanoyl-5,5-dimethyl-3-oxidanylidene-cyclohexylidene)-(4-nitrophenyl)azanium Openeye Name: (2-butanoyl-5,5-dimethyl-3-oxo-cyclohexylidene)-(4-nitrophenyl)ammonium CAS Name: [5,5-dimethyl-3-oxo-2-(1-oxobutyl)cyclohexylidene]-(4-nitrophenyl)ammonium IUPAC Name: (2-butanoyl-5,5-dimethyl-3-oxocyclohexylidene)-(4-nitrophenyl)azanium Traditional Name: (2-butyryl-3-keto-5,5-dimethyl-cyclohexylidene)-(4-nitrophenyl)ammonium Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=[NH+]C2=CC=C(C=C2)[N+](=O)[O-])CC(CC1=O)(C)C

Isomeric SMILES

CCCC(=O)C1C(=[NH+]C2=CC=C(C=C2)[N+](=O)[O-])CC(CC1=O)(C)C

InChI

InChI=1S/C18H22N2O4/c1-4-5-15(21)17-14(10-18(2,3)11-16(17)22)19-12-6-8-13(9-7-12)20(23)24/h6-9,17H,4-5,10-11H2,1-3H3/p+1