(2S)-2-azanyl-5-[(2-methoxy-4-nitro-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[(2-methoxy-4-nitro-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-(2-methoxy-4-nitro-anilino)-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-(2-methoxy-4-nitroanilino)-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-(2-methoxy-4-nitroanilino)-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-(2-methoxy-4-nitro-anilino)valeric acid Formula: C12H15N3O6 MolecularWeight: 297.264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCC(C(=O)O)N

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C12H15N3O6/c1-21-10-6-7(15(19)20)2-4-9(10)14-11(16)5-3-8(13)12(17)18/h2,4,6,8H,3,5,13H2,1H3,(H,14,16)(H,17,18)/t8-/m0/s1