[2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 2-(6-methoxybenzofuran-3-yl)acetate CAS Name: 2-(6-methoxy-3-benzofuranyl)acetic acid [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methoxybenzofuran-3-yl)acetic acid [2-keto-2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethyl] ester Formula: C22H20N2O9 MolecularWeight: 456.4022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C22H20N2O9/c1-29-14-3-4-15-13(11-32-18(15)8-14)7-22(26)33-12-21(25)23-16-9-19-20(10-17(16)24(27)28)31-6-2-5-30-19/h3-4,8-11H,2,5-7,12H2,1H3,(H,23,25)