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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methyl-2-oxidanyl-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic 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-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H15NO7 MolecularWeight: 345.3035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)O

InChI

InChI=1S/C17H15NO7/c1-10-2-3-14(15(19)4-10)17(20)24-8-12-6-13(18(21)22)5-11-7-23-9-25-16(11)12/h2-6,19H,7-9H2,1H3