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

Systemtic Name: O1-methyl O3-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl 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-methyl ester O3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester O1-methyl ester Formula: C20H16N2O7 MolecularWeight: 396.35024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O7/c1-11-18(15-5-3-4-6-16(15)21-11)17(23)10-29-20(25)13-7-12(19(24)28-2)8-14(9-13)22(26)27/h3-9,21H,10H2,1-2H3