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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H14N2O8 MolecularWeight: 374.30166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O8/c1-10-3-2-4-14(15(10)19(23)24)17(20)26-8-12-6-13(18(21)22)5-11-7-25-9-27-16(11)12/h2-6H,7-9H2,1H3