ethyl 2-methyl-1-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-methyl-indole-3-carboxylate CAS Name: 5-hydroxy-1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-methylindole-3-carboxylate Traditional Name: 5-hydroxy-1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CC(C3=CC=C(C=C3)[N+](=O)[O-])O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CC(C3=CC=C(C=C3)[N+](=O)[O-])O)C

InChI

InChI=1S/C20H20N2O6/c1-3-28-20(25)19-12(2)21(17-9-8-15(23)10-16(17)19)11-18(24)13-4-6-14(7-5-13)22(26)27/h4-10,18,23-24H,3,11H2,1-2H3