2-nitro-6-[(2R,3R)-3-phenylbutan-2-yl]oxy-benzoic acid

Systemtic Name: 2-nitro-6-[(2R,3R)-3-phenylbutan-2-yl]oxy-benzoic acid Openeye Name: 2-[(1R,2R)-1-methyl-2-phenyl-propoxy]-6-nitro-benzoic acid CAS Name: 2-nitro-6-[(2R,3R)-3-phenylbutan-2-yl]oxybenzoic acid IUPAC Name: 2-nitro-6-[(2R,3R)-3-phenylbutan-2-yl]oxybenzoic acid Traditional Name: 2-[(1R,2R)-1-methyl-2-phenyl-propoxy]-6-nitro-benzoic acid Formula: C17H17NO5 MolecularWeight: 315.32058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(C)OC2=CC=CC(=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[C@@H](C)OC2=CC=CC(=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO5/c1-11(13-7-4-3-5-8-13)12(2)23-15-10-6-9-14(18(21)22)16(15)17(19)20/h3-12H,1-2H3,(H,19,20)/t11-,12+/m0/s1