(7E)-7-[(1-methoxypyridin-1-ium-2-yl)hydrazinylidene]-3,4-dihydro-2H-1,4-benzoxazin-6-one; methyl sulfate

Systemtic Name: (7E)-7-[(1-methoxypyridin-1-ium-2-yl)hydrazinylidene]-3,4-dihydro-2H-1,4-benzoxazin-6-one; methyl sulfate Openeye Name: (7E)-7-[(1-methoxypyridin-1-ium-2-yl)hydrazono]-3,4-dihydro-2H-1,4-benzoxazin-6-one; methyl sulfate CAS Name: (7E)-7-[(1-methoxy-2-pyridin-1-iumyl)hydrazinylidene]-3,4-dihydro-2H-1,4-benzoxazin-6-one; methyl sulfate IUPAC Name: (7E)-7-[(1-methoxypyridin-1-ium-2-yl)hydrazinylidene]-3,4-dihydro-2H-1,4-benzoxazin-6-one; methyl sulfate Traditional Name: (7E)-7-[(1-methoxypyridin-1-ium-2-yl)hydrazono]-3,4-dihydro-2H-1,4-benzoxazin-6-one; methyl sulfate Formula: C15H18N4O7S MolecularWeight: 398.39102

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Descriptors Computed from Structure

Canonical SMILES:

CO[N+]1=CC=CC=C1NN=C2C=C3C(=CC2=O)NCCO3.COS(=O)(=O)[O-]

Isomeric SMILES

CO[N+]1=CC=CC=C1N/N=C/2\C=C3C(=CC2=O)NCCO3.COS(=O)(=O)[O-]

InChI

InChI=1S/C14H14N4O3.CH4O4S/c1-20-18-6-3-2-4-14(18)17-16-10-9-13-11(8-12(10)19)15-5-7-21-13;1-5-6(2,3)4/h2-4,6,8-9H,5,7H2,1H3,(H,15,19);1H3,(H,2,3,4)/b16-10+;