O1-ethyl O3-[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-ethyl 3-O-[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H18N2O7 MolecularWeight: 410.37682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H18N2O7/c1-3-29-20(25)13-8-14(10-15(9-13)23(27)28)21(26)30-12(2)19(24)17-11-22-18-7-5-4-6-16(17)18/h4-12,22H,3H2,1-2H3