[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H21N3O5 MolecularWeight: 323.34434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CCCNC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)CCCNC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O5/c1-3-16-15(20)11(2)23-14(19)9-6-10-17-12-7-4-5-8-13(12)18(21)22/h4-5,7-8,11,17H,3,6,9-10H2,1-2H3,(H,16,20)/t11-/m0/s1