2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-phenyl]methyl]benzoic acid

Systemtic Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-phenyl]methyl]benzoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-4-nitro-phenyl]methyl]benzoic acid CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-nitrophenyl]methyl]benzoic acid IUPAC Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitrophenyl]methyl]benzoic acid Traditional Name: 2-[2-(tert-butoxycarbonylamino)-4-nitro-benzyl]benzoic acid Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H20N2O6/c1-19(2,3)27-18(24)20-16-11-14(21(25)26)9-8-13(16)10-12-6-4-5-7-15(12)17(22)23/h4-9,11H,10H2,1-3H3,(H,20,24)(H,22,23)