2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-5-nitro-benzoic acid

Systemtic Name: 2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-5-nitro-benzoic acid Openeye Name: 2-[2-[(tert-butoxycarbonylamino)methyl]phenyl]-5-nitro-benzoic acid CAS Name: 2-[2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-5-nitrobenzoic acid IUPAC Name: 2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-5-nitrobenzoic acid Traditional Name: 2-[2-[(tert-butoxycarbonylamino)methyl]phenyl]-5-nitro-benzoic acid Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=CC=C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=CC=C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

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