2-methoxy-4-[[(3S,6S)-6-methyl-2-oxidanylidene-3-propan-2-yl-cyclohexylidene]methyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[[(3S,6S)-6-methyl-2-oxidanylidene-3-propan-2-yl-cyclohexylidene]methyl]-6-nitro-phenolate Openeye Name: 4-[[(3S,6S)-3-isopropyl-6-methyl-2-oxo-cyclohexylidene]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 2-methoxy-4-[[(3S,6S)-6-methyl-2-oxo-3-propan-2-ylcyclohexylidene]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[[(3S,6S)-6-methyl-2-oxo-3-propan-2-ylcyclohexylidene]methyl]-6-nitrophenolate Traditional Name: 4-[[(3S,6S)-3-isopropyl-2-keto-6-methyl-cyclohexylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C18H22NO5- MolecularWeight: 332.37098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@H](C(=O)C1=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C(C)C

InChI

InChI=1S/C18H23NO5/c1-10(2)13-6-5-11(3)14(17(13)20)7-12-8-15(19(22)23)18(21)16(9-12)24-4/h7-11,13,21H,5-6H2,1-4H3/p-1/t11-,13-/m0/s1