2-[[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[4-[(tert-butoxycarbonylamino)methyl]benzoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[4-[(tert-butoxycarbonylamino)methyl]benzoyl]amino]methyl]-4-nitro-phenolate Formula: C20H22N3O6- MolecularWeight: 400.40518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H23N3O6/c1-20(2,3)29-19(26)22-11-13-4-6-14(7-5-13)18(25)21-12-15-10-16(23(27)28)8-9-17(15)24/h4-10,24H,11-12H2,1-3H3,(H,21,25)(H,22,26)/p-1