4-methyl-2-[3-(7-nitro-1H-indol-4-yl)phenyl]pentanoic acid

Systemtic Name: 4-methyl-2-[3-(7-nitro-1H-indol-4-yl)phenyl]pentanoic acid Openeye Name: 4-methyl-2-[3-(7-nitro-1H-indol-4-yl)phenyl]pentanoic acid CAS Name: 4-methyl-2-[3-(7-nitro-1H-indol-4-yl)phenyl]pentanoic acid IUPAC Name: 4-methyl-2-[3-(7-nitro-1H-indol-4-yl)phenyl]pentanoic acid Traditional Name: 4-methyl-2-[3-(7-nitro-1H-indol-4-yl)phenyl]valeric acid Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=C3C=CNC3=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=C3C=CNC3=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H20N2O4/c1-12(2)10-17(20(23)24)14-5-3-4-13(11-14)15-6-7-18(22(25)26)19-16(15)8-9-21-19/h3-9,11-12,17,21H,10H2,1-2H3,(H,23,24)