(2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)butanoic acid

Systemtic Name: (2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)butanoic acid Openeye Name: (2R)-2-(3-isopropoxypropylamino)-4-(3-nitroanilino)-4-oxo-butanoic acid CAS Name: (2R)-4-(3-nitroanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid IUPAC Name: (2R)-4-(3-nitroanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid Traditional Name: (2R)-2-(3-isopropoxypropylamino)-4-keto-4-(3-nitroanilino)butyric acid Formula: C16H23N3O6 MolecularWeight: 353.37032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)OCCCN[C@H](CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H23N3O6/c1-11(2)25-8-4-7-17-14(16(21)22)10-15(20)18-12-5-3-6-13(9-12)19(23)24/h3,5-6,9,11,14,17H,4,7-8,10H2,1-2H3,(H,18,20)(H,21,22)/t14-/m1/s1