[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C17H23N3O7 MolecularWeight: 381.38042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C17H23N3O7/c1-11(15(22)19-12-6-5-7-13(10-12)20(24)25)26-14(21)8-9-18-16(23)27-17(2,3)4/h5-7,10-11H,8-9H2,1-4H3,(H,18,23)(H,19,22)