methyl 3-nitrodibenzo-p-dioxin-1-carboxylate

Systemtic Name: methyl 3-nitrodibenzo-p-dioxin-1-carboxylate Openeye Name: methyl 3-nitrodibenzo-p-dioxin-1-carboxylate CAS Name: 3-nitro-1-dibenzo-p-dioxincarboxylic acid methyl ester IUPAC Name: methyl 3-nitrodibenzo-p-dioxin-1-carboxylate Traditional Name: 3-nitrodibenzo-p-dioxin-1-carboxylic acid methyl ester Formula: C14H9NO6 MolecularWeight: 287.22436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC2=C1OC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC2=C1OC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C14H9NO6/c1-19-14(16)9-6-8(15(17)18)7-12-13(9)21-11-5-3-2-4-10(11)20-12/h2-7H,1H3