[(2-methylphenyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino] 4-nitrobenzoate

Systemtic Name: [(2-methylphenyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino] 4-nitrobenzoate Openeye Name: (N-tert-butoxycarbonyl-2-methyl-anilino) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2-methyl-N-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino) ester IUPAC Name: [2-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (N-tert-butoxycarbonyl-2-methyl-anilino) ester Formula: C19H20N2O6 MolecularWeight: 372.3719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C(=O)OC(C)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N(C(=O)OC(C)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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