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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)C2=C(NC3=CC=CC=C32)C

InChI

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