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

Systemtic Name: [2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-(2-phenyl-1H-indol-3-yl)ethyl] ester Formula: C21H14N2O5S MolecularWeight: 406.41126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)COC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)COC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O5S/c24-16(12-28-21(25)17-10-11-18(29-17)23(26)27)19-14-8-4-5-9-15(14)22-20(19)13-6-2-1-3-7-13/h1-11,22H,12H2