(2S)-2-(aminocarbonylamino)-3-methyl-N-[2-[(2-nitrophenyl)amino]ethyl]butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-3-methyl-N-[2-[(2-nitrophenyl)amino]ethyl]butanamide Openeye Name: (2S)-3-methyl-N-[2-(2-nitroanilino)ethyl]-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-3-methyl-N-[2-(2-nitroanilino)ethyl]butanamide IUPAC Name: (2S)-2-(carbamoylamino)-3-methyl-N-[2-(2-nitroanilino)ethyl]butanamide Traditional Name: (2S)-3-methyl-N-[2-(2-nitroanilino)ethyl]-2-ureido-butyramide Formula: C14H21N5O4 MolecularWeight: 323.34764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC(=O)N

InChI

InChI=1S/C14H21N5O4/c1-9(2)12(18-14(15)21)13(20)17-8-7-16-10-5-3-4-6-11(10)19(22)23/h3-6,9,12,16H,7-8H2,1-2H3,(H,17,20)(H3,15,18,21)/t12-/m0/s1