methyl 2-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-nitro-benzoate

Systemtic Name: methyl 2-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-nitro-benzoate Openeye Name: methyl 3-[4-(tert-butoxycarbonylamino)phenyl]-2-methyl-5-nitro-benzoate CAS Name: 2-methyl-3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-nitrobenzoate Traditional Name: 3-[4-(tert-butoxycarbonylamino)phenyl]-2-methyl-5-nitro-benzoic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C2=CC=C(C=C2)NC(=O)OC(C)(C)C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1C2=CC=C(C=C2)NC(=O)OC(C)(C)C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H22N2O6/c1-12-16(10-15(22(25)26)11-17(12)18(23)27-5)13-6-8-14(9-7-13)21-19(24)28-20(2,3)4/h6-11H,1-5H3,(H,21,24)