[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(1-methyl-2-phenyl-indol-3-yl)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-(1-methyl-2-phenyl-3-indolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-(1-methyl-2-phenyl-indol-3-yl)ethyl] ester Formula: C22H16N2O5S MolecularWeight: 420.43784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)COC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O5S/c1-23-16-10-6-5-9-15(16)20(21(23)14-7-3-2-4-8-14)17(25)13-29-22(26)18-11-12-19(30-18)24(27)28/h2-12H,13H2,1H3