O1-ethyl O3-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H20N2O7/c1-3-13-6-5-7-17-18(11-23-20(13)17)19(25)12-31-22(27)15-8-14(21(26)30-4-2)9-16(10-15)24(28)29/h5-11,23H,3-4,12H2,1-2H3