(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methoxy-2-oxidanyl-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methoxy-2-oxidanyl-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-hydroxy-4-methoxy-benzoate CAS Name: 2-hydroxy-4-methoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-hydroxy-4-methoxybenzoate Traditional Name: 2-hydroxy-4-methoxy-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H15NO8 MolecularWeight: 361.3029

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)O

InChI

InChI=1S/C17H15NO8/c1-23-13-2-3-14(15(19)6-13)17(20)25-8-11-5-12(18(21)22)4-10-7-24-9-26-16(10)11/h2-6,19H,7-9H2,1H3