[3-[[(2-methyl-3-oxidanylidene-butan-2-yl)amino]methyl]-7-nitro-2,4-dihydro-1,5-benzodioxepin-3-yl] ethanoate

Systemtic Name: [3-[[(2-methyl-3-oxidanylidene-butan-2-yl)amino]methyl]-7-nitro-2,4-dihydro-1,5-benzodioxepin-3-yl] ethanoate Openeye Name: [3-[[(1,1-dimethyl-2-oxo-propyl)amino]methyl]-7-nitro-2,4-dihydro-1,5-benzodioxepin-3-yl] acetate CAS Name: acetic acid [3-[[(2-methyl-3-oxobutan-2-yl)amino]methyl]-7-nitro-2,4-dihydro-1,5-benzodioxepin-3-yl] ester IUPAC Name: [3-[[(2-methyl-3-oxobutan-2-yl)amino]methyl]-7-nitro-2,4-dihydro-1,5-benzodioxepin-3-yl] acetate Traditional Name: acetic acid [3-[[(2-keto-1,1-dimethyl-propyl)amino]methyl]-7-nitro-2,4-dihydro-1,5-benzodioxepin-3-yl] ester Formula: C17H22N2O7 MolecularWeight: 366.36578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)NCC1(COC2=C(C=C(C=C2)[N+](=O)[O-])OC1)OC(=O)C

Isomeric SMILES

CC(=O)C(C)(C)NCC1(COC2=C(C=C(C=C2)[N+](=O)[O-])OC1)OC(=O)C

InChI

InChI=1S/C17H22N2O7/c1-11(20)16(3,4)18-8-17(26-12(2)21)9-24-14-6-5-13(19(22)23)7-15(14)25-10-17/h5-7,18H,8-10H2,1-4H3