1-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-2-(2-nitrophenyl)ethanolate

Systemtic Name: 1-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-2-(2-nitrophenyl)ethanolate Openeye Name: 1-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-2-(2-nitrophenyl)ethanolate CAS Name: 1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-2-(2-nitrophenyl)ethanolate IUPAC Name: 1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-2-(2-nitrophenyl)ethanolate Traditional Name: 1-(2,6-diketo-4,4-dimethyl-cyclohexylidene)-2-(2-nitrophenyl)ethanolate Formula: C16H16NO5- MolecularWeight: 302.30194

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(CC2=CC=CC=C2[N+](=O)[O-])[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=C(CC2=CC=CC=C2[N+](=O)[O-])[O-])C(=O)C1)C

InChI

InChI=1S/C16H17NO5/c1-16(2)8-13(19)15(14(20)9-16)12(18)7-10-5-3-4-6-11(10)17(21)22/h3-6,18H,7-9H2,1-2H3/p-1