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

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-keto-2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethyl] ester Formula: C21H22N2O9 MolecularWeight: 446.40738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)OC

InChI

InChI=1S/C21H22N2O9/c1-28-16-5-4-13(8-17(16)29-2)9-21(25)32-12-20(24)22-14-10-18-19(11-15(14)23(26)27)31-7-3-6-30-18/h4-5,8,10-11H,3,6-7,9,12H2,1-2H3,(H,22,24)