3-[4-[(2-chlorophenyl)methyl]-1H-indol-3-yl]-4-(2-methoxyethoxy)-2-nitro-butanoic acid

Systemtic Name: 3-[4-[(2-chlorophenyl)methyl]-1H-indol-3-yl]-4-(2-methoxyethoxy)-2-nitro-butanoic acid Openeye Name: 3-[4-[(2-chlorophenyl)methyl]-1H-indol-3-yl]-4-(2-methoxyethoxy)-2-nitro-butanoic acid CAS Name: 3-[4-[(2-chlorophenyl)methyl]-1H-indol-3-yl]-4-(2-methoxyethoxy)-2-nitrobutanoic acid IUPAC Name: 3-[4-[(2-chlorophenyl)methyl]-1H-indol-3-yl]-4-(2-methoxyethoxy)-2-nitrobutanoic acid Traditional Name: 3-[4-(2-chlorobenzyl)-1H-indol-3-yl]-4-(2-methoxyethoxy)-2-nitro-butyric acid Formula: C22H23ClN2O6 MolecularWeight: 446.88082

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCC(C1=CNC2=CC=CC(=C21)CC3=CC=CC=C3Cl)C(C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COCCOCC(C1=CNC2=CC=CC(=C21)CC3=CC=CC=C3Cl)C(C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN2O6/c1-30-9-10-31-13-17(21(22(26)27)25(28)29)16-12-24-19-8-4-6-15(20(16)19)11-14-5-2-3-7-18(14)23/h2-8,12,17,21,24H,9-11,13H2,1H3,(H,26,27)