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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 2-(2-amino-2-oxoethoxy)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-oxoethoxy)benzoate Traditional Name: 2-(2-amino-2-keto-ethoxy)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H16N2O8 MolecularWeight: 388.32824

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3OCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3OCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O8/c19-16(21)9-26-15-4-2-1-3-14(15)18(22)27-8-12-6-13(20(23)24)5-11-7-25-10-28-17(11)12/h1-6H,7-10H2,(H2,19,21)