2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propyl]amino]-3-nitro-benzoic acid

Systemtic Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propyl]amino]-3-nitro-benzoic acid Openeye Name: 2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propyl]amino]-3-nitro-benzoic acid CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylmethoxypropyl]amino]-3-nitrobenzoic acid IUPAC Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]amino]-3-nitrobenzoic acid Traditional Name: 2-[[3-benzoxy-2-(tert-butoxycarbonylamino)propyl]amino]-3-nitro-benzoic acid Formula: C22H27N3O7 MolecularWeight: 445.46568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CNC1=C(C=CC=C1[N+](=O)[O-])C(=O)O)COCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CNC1=C(C=CC=C1[N+](=O)[O-])C(=O)O)COCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O7/c1-22(2,3)32-21(28)24-16(14-31-13-15-8-5-4-6-9-15)12-23-19-17(20(26)27)10-7-11-18(19)25(29)30/h4-11,16,23H,12-14H2,1-3H3,(H,24,28)(H,26,27)