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

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 2-methylbutanoate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 2-methylbutanoate CAS Name: 2-methylbutanoic 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-methylbutanoate Traditional Name: 2-methylbutyric acid [2-keto-2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethyl] ester Formula: C16H20N2O7 MolecularWeight: 352.3392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCC(=O)NC1=CC2=C(C=C1[N+](=O)[O-])OCCCO2

Isomeric SMILES

CCC(C)C(=O)OCC(=O)NC1=CC2=C(C=C1[N+](=O)[O-])OCCCO2

InChI

InChI=1S/C16H20N2O7/c1-3-10(2)16(20)25-9-15(19)17-11-7-13-14(8-12(11)18(21)22)24-6-4-5-23-13/h7-8,10H,3-6,9H2,1-2H3,(H,17,19)