[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-nitrobenzoate

Systemtic Name: [3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-nitrobenzoate Openeye Name: [4-(tert-butoxycarbonylamino)-3-methyl-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(tert-butoxycarbonylamino)-3-methyl-phenyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H20N2O6/c1-12-11-15(9-10-16(12)20-18(23)27-19(2,3)4)26-17(22)13-5-7-14(8-6-13)21(24)25/h5-11H,1-4H3,(H,20,23)