[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C18H15NO7 MolecularWeight: 357.3142

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC1

InChI

InChI=1S/C18H15NO7/c20-15(12-5-6-16-17(10-12)25-8-2-7-24-16)11-26-18(21)13-3-1-4-14(9-13)19(22)23/h1,3-6,9-10H,2,7-8,11H2