3-[(4-methyl-2-nitro-phenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[(4-methyl-2-nitro-phenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(4-methyl-2-nitro-anilino)propanoic acid CAS Name: 3-(4-methyl-2-nitroanilino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-methyl-2-nitroanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-methyl-2-nitro-anilino)propionic acid Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O6/c1-9-5-6-10(12(7-9)18(22)23)16-8-11(13(19)20)17-14(21)24-15(2,3)4/h5-7,11,16H,8H2,1-4H3,(H,17,21)(H,19,20)