(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H24N2O8 MolecularWeight: 396.39176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2

InChI

InChI=1S/C18H24N2O8/c1-18(2,3)28-17(22)19-6-4-5-15(21)26-10-13-8-14(20(23)24)7-12-9-25-11-27-16(12)13/h7-8H,4-6,9-11H2,1-3H3,(H,19,22)