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

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 2-(4-ethoxyphenoxy)ethanoate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 2-(4-ethoxyphenoxy)acetate CAS Name: 2-(4-ethoxyphenoxy)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-(4-ethoxyphenoxy)acetate Traditional Name: 2-(4-ethoxyphenoxy)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:

CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

InChI

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