(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H14N2O7S MolecularWeight: 402.37796

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O7S/c21-16-8-28-15-2-1-10(5-14(15)19-16)18(22)26-7-12-4-13(20(23)24)3-11-6-25-9-27-17(11)12/h1-5H,6-9H2,(H,19,21)