O1-methyl O4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] ester IUPAC Name: 1-O-methyl 4-O-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl] ester Formula: C18H15NO8 MolecularWeight: 373.3136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO8/c1-24-17(20)11-2-4-12(5-3-11)18(21)26-9-14-7-15(19(22)23)6-13-8-25-10-27-16(13)14/h2-7H,8-10H2,1H3