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

Systemtic Name: 5-[(5-methyl-2-nitro-phenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-5-(5-methyl-2-nitro-anilino)pentanoic acid CAS Name: 5-(5-methyl-2-nitroanilino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(5-methyl-2-nitroanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-5-(5-methyl-2-nitro-anilino)valeric acid Formula: C17H25N3O6 MolecularWeight: 367.3969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])NCCCC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])NCCCC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H25N3O6/c1-11-7-8-14(20(24)25)13(10-11)18-9-5-6-12(15(21)22)19-16(23)26-17(2,3)4/h7-8,10,12,18H,5-6,9H2,1-4H3,(H,19,23)(H,21,22)