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

Systemtic Name: 2-[2-(4-butoxyphenyl)-6-oxidanylidene-1,3-oxazin-4-yl]-6-nitro-phenolate Openeye Name: 2-[2-(4-butoxyphenyl)-6-oxo-1,3-oxazin-4-yl]-6-nitro-phenolate CAS Name: 2-[2-(4-butoxyphenyl)-6-oxo-1,3-oxazin-4-yl]-6-nitrophenolate IUPAC Name: 2-[2-(4-butoxyphenyl)-6-oxo-1,3-oxazin-4-yl]-6-nitrophenolate Traditional Name: 2-[2-(4-butoxyphenyl)-6-keto-1,3-oxazin-4-yl]-6-nitro-phenolate Formula: C20H17N2O6- MolecularWeight: 381.35878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=CC(=O)O2)C3=C(C(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=CC(=O)O2)C3=C(C(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H18N2O6/c1-2-3-11-27-14-9-7-13(8-10-14)20-21-16(12-18(23)28-20)15-5-4-6-17(19(15)24)22(25)26/h4-10,12,24H,2-3,11H2,1H3/p-1