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

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 3-cyclopentylpropanoate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic 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] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [2-keto-2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethyl] ester Formula: C19H24N2O7 MolecularWeight: 392.40306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

Isomeric SMILES

C1CCC(C1)CCC(=O)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

InChI

InChI=1S/C19H24N2O7/c22-18(12-28-19(23)7-6-13-4-1-2-5-13)20-14-10-16-17(11-15(14)21(24)25)27-9-3-8-26-16/h10-11,13H,1-9,12H2,(H,20,22)