ethyl 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-5-nitro-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-5-nitro-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(1,3-dioxoisoindolin-2-yl)propyl]-5-nitro-1H-indole-2-carboxylate CAS Name: 3-[3-(1,3-dioxo-2-isoindolyl)propyl]-5-nitro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-nitro-1H-indole-2-carboxylate Traditional Name: 5-nitro-3-(3-phthalimidopropyl)-1H-indole-2-carboxylic acid ethyl ester Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H19N3O6/c1-2-31-22(28)19-14(17-12-13(25(29)30)9-10-18(17)23-19)8-5-11-24-20(26)15-6-3-4-7-16(15)21(24)27/h3-4,6-7,9-10,12,23H,2,5,8,11H2,1H3