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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-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] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C19H17NO8 MolecularWeight: 387.34018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H17NO8/c1-25-16-6-4-13(20(23)24)10-14(16)19(22)28-11-15(21)12-3-5-17-18(9-12)27-8-2-7-26-17/h3-6,9-10H,2,7-8,11H2,1H3