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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-oxidanylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H13NO7 MolecularWeight: 331.27692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO7/c18-14-3-1-2-10(6-14)16(19)23-8-12-5-13(17(20)21)4-11-7-22-9-24-15(11)12/h1-6,18H,7-9H2