5-(5-methyl-2-nitro-phenoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-(5-methyl-2-nitro-phenoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-(5-methyl-2-nitro-phenoxy)pentanoic acid CAS Name: 5-(5-methyl-2-nitrophenoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(5-methyl-2-nitrophenoxy)-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-(5-methyl-2-nitro-phenoxy)valeric acid Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O7/c1-14-9-10-17(22(26)27)18(12-14)28-11-5-8-16(19(23)24)21-20(25)29-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,25)(H,23,24)