[4-[(6-bromanyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylimino]cyclohexa-2,5-dien-1-ylidene]-ethoxy-methanolate

Systemtic Name: [4-[(6-bromanyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylimino]cyclohexa-2,5-dien-1-ylidene]-ethoxy-methanolate Openeye Name: [4-[(6-bromo-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylimino]cyclohexa-2,5-dien-1-ylidene]-ethoxy-methanolate CAS Name: [4-[(6-bromo-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylimino]-1-cyclohexa-2,5-dienylidene]-ethoxymethanolate IUPAC Name: [4-[(6-bromo-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylimino]cyclohexa-2,5-dien-1-ylidene]-ethoxymethanolate Traditional Name: [4-[(6-bromo-3-keto-4H-1,4-benzoxazin-7-yl)sulfonylimino]cyclohexa-2,5-dien-1-ylidene]-ethoxy-methanolate Formula: C17H14BrN2O6S- MolecularWeight: 454.27186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C=CC(=NS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Br)C=C1)[O-]

Isomeric SMILES

CCOC(=C1C=CC(=NS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Br)C=C1)[O-]

InChI

InChI=1S/C17H15BrN2O6S/c1-2-25-17(22)10-3-5-11(6-4-10)20-27(23,24)15-8-14-13(7-12(15)18)19-16(21)9-26-14/h3-8,22H,2,9H2,1H3,(H,19,21)/p-1