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

Systemtic Name: 2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxidanylidene-cyclohexylidene]methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxo-cyclohexylidene]methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]-6-nitrophenolate Traditional Name: 4-[(E)-[(3S)-2-keto-3-methyl-cyclohexylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C15H16NO5- MolecularWeight: 290.29124

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C1=O

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO5/c1-9-4-3-5-11(14(9)17)6-10-7-12(16(19)20)15(18)13(8-10)21-2/h6-9,18H,3-5H2,1-2H3/p-1/b11-6+/t9-/m0/s1