methyl 4-(8-nitro-6H-benzo[b][1,4]benzodioxepin-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(8-nitro-6H-benzo[b][1,4]benzodioxepin-2-yl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(8-nitro-6H-benzo[b][1,4]benzodioxepin-2-yl)-4-oxo-butanoate CAS Name: 4-(8-nitro-6H-benzo[b][1,4]benzodioxepin-2-yl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(8-nitro-6H-benzo[b][1,4]benzodioxepin-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(8-nitro-6H-benzo[b][1,4]benzodioxepin-2-yl)butyric acid methyl ester Formula: C18H15NO7 MolecularWeight: 357.3142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=CC2=C(C=C1)OCC3=C(O2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC(=O)C1=CC2=C(C=C1)OCC3=C(O2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO7/c1-24-18(21)7-4-14(20)11-2-5-16-17(9-11)26-15-6-3-13(19(22)23)8-12(15)10-25-16/h2-3,5-6,8-9H,4,7,10H2,1H3