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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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