(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-acetamidobenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-acetamidobenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H16N2O7/c1-11(21)19-15-4-2-3-12(5-15)18(22)26-9-14-7-16(20(23)24)6-13-8-25-10-27-17(13)14/h2-7H,8-10H2,1H3,(H,19,21)