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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C21H22N2O8/c1-21(2,3)31-20(25)22-16-6-4-5-13(7-16)19(24)29-11-15-9-17(23(26)27)8-14-10-28-12-30-18(14)15/h4-9H,10-12H2,1-3H3,(H,22,25)