2-[2-(4-hexoxyphenyl)-6-oxidanylidene-1,3-oxazin-4-yl]-4-nitro-phenolate

Systemtic Name: 2-[2-(4-hexoxyphenyl)-6-oxidanylidene-1,3-oxazin-4-yl]-4-nitro-phenolate Openeye Name: 2-[2-(4-hexoxyphenyl)-6-oxo-1,3-oxazin-4-yl]-4-nitro-phenolate CAS Name: 2-[2-(4-hexoxyphenyl)-6-oxo-1,3-oxazin-4-yl]-4-nitrophenolate IUPAC Name: 2-[2-(4-hexoxyphenyl)-6-oxo-1,3-oxazin-4-yl]-4-nitrophenolate Traditional Name: 2-[2-(4-hexoxyphenyl)-6-keto-1,3-oxazin-4-yl]-4-nitro-phenolate Formula: C22H21N2O6- MolecularWeight: 409.41194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC(=CC(=O)O2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC(=CC(=O)O2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C22H22N2O6/c1-2-3-4-5-12-29-17-9-6-15(7-10-17)22-23-19(14-21(26)30-22)18-13-16(24(27)28)8-11-20(18)25/h6-11,13-14,25H,2-5,12H2,1H3/p-1