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

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 2-(2-ethylbenzimidazol-1-yl)ethanoate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 2-(2-ethylbenzimidazol-1-yl)acetate CAS Name: 2-(2-ethyl-1-benzimidazolyl)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-(2-ethylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-ethylbenzimidazol-1-yl)acetic acid [2-keto-2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethyl] ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C22H22N4O7/c1-2-20-23-14-6-3-4-7-16(14)25(20)12-22(28)33-13-21(27)24-15-10-18-19(11-17(15)26(29)30)32-9-5-8-31-18/h3-4,6-7,10-11H,2,5,8-9,12-13H2,1H3,(H,24,27)