methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitro-benzoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitro-benzoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-nitro-benzoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-nitro-benzoic acid methyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H16N2O6/c1-13(2,3)21-12(17)14-10-8(11(16)20-4)6-5-7-9(10)15(18)19/h5-7H,1-4H3,(H,14,17)