ethyl 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-5-methyl-7-nitro-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-5-methyl-7-nitro-1H-indole-2-carboxylate Openeye Name: ethyl 3-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-5-methyl-7-nitro-1H-indole-2-carboxylate CAS Name: 3-[2-(1,3-dioxo-2-isoindolyl)ethyl]-5-methyl-7-nitro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5-methyl-7-nitro-1H-indole-2-carboxylate Traditional Name: 5-methyl-7-nitro-3-(2-phthalimidoethyl)-1H-indole-2-carboxylic acid ethyl ester Formula: C22H19N3O6 MolecularWeight: 421.40276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2N1)[N+](=O)[O-])C)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2N1)[N+](=O)[O-])C)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H19N3O6/c1-3-31-22(28)19-13(16-10-12(2)11-17(25(29)30)18(16)23-19)8-9-24-20(26)14-6-4-5-7-15(14)21(24)27/h4-7,10-11,23H,3,8-9H2,1-2H3