(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3SCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3SCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O7S/c19-16(21)9-28-15-4-2-1-3-14(15)18(22)26-8-12-6-13(20(23)24)5-11-7-25-10-27-17(11)12/h1-6H,7-10H2,(H2,19,21)