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

Systemtic Name: 2-methoxy-6-nitro-4-[(E)-[(3S)-2-oxidanylidene-3-phenyl-cyclohexylidene]methyl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[(E)-[(3S)-2-oxo-3-phenyl-cyclohexylidene]methyl]phenolate CAS Name: 2-methoxy-6-nitro-4-[(E)-[(3S)-2-oxo-3-phenylcyclohexylidene]methyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(E)-[(3S)-2-oxo-3-phenylcyclohexylidene]methyl]phenolate Traditional Name: 4-[(E)-[(3S)-2-keto-3-phenyl-cyclohexylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C20H18NO5- MolecularWeight: 352.36062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2CCCC(C2=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/2\CCC[C@H](C2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO5/c1-26-18-12-13(11-17(20(18)23)21(24)25)10-15-8-5-9-16(19(15)22)14-6-3-2-4-7-14/h2-4,6-7,10-12,16,23H,5,8-9H2,1H3/p-1/b15-10+/t16-/m0/s1