[(3R)-3-methoxycarbonyl-4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-(4-nitrophenyl)methanolate

Systemtic Name: [(3R)-3-methoxycarbonyl-4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]-(4-nitrophenyl)methanolate Openeye Name: [(3R)-3-methoxycarbonyl-4,4-dimethyl-2,6-dioxo-cyclohexylidene]-(4-nitrophenyl)methanolate CAS Name: [(3R)-3-methoxycarbonyl-4,4-dimethyl-2,6-dioxocyclohexylidene]-(4-nitrophenyl)methanolate IUPAC Name: [(3R)-3-methoxycarbonyl-4,4-dimethyl-2,6-dioxocyclohexylidene]-(4-nitrophenyl)methanolate Traditional Name: [(3R)-3-carbomethoxy-2,6-diketo-4,4-dimethyl-cyclohexylidene]-(4-nitrophenyl)methanolate Formula: C17H16NO7- MolecularWeight: 346.31144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(=O)C(=C(C2=CC=C(C=C2)[N+](=O)[O-])[O-])C(=O)[C@@H]1C(=O)OC)C

InChI

InChI=1S/C17H17NO7/c1-17(2)8-11(19)12(15(21)13(17)16(22)25-3)14(20)9-4-6-10(7-5-9)18(23)24/h4-7,13,20H,8H2,1-3H3/p-1/t13-/m1/s1