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

Systemtic Name: 4-[(E)-[(3S)-3-methyl-2-oxidanylidene-cyclohexylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(E)-[(3S)-3-methyl-2-oxo-cyclohexylidene]methyl]-2-nitro-phenolate CAS Name: 4-[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]-2-nitrophenolate Traditional Name: 4-[(E)-[(3S)-2-keto-3-methyl-cyclohexylidene]methyl]-2-nitro-phenolate Formula: C14H14NO4- MolecularWeight: 260.26526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4/c1-9-3-2-4-11(14(9)17)7-10-5-6-13(16)12(8-10)15(18)19/h5-9,16H,2-4H2,1H3/p-1/b11-7+/t9-/m0/s1