2-[7-(acetyloxymethyl)-1-(4-methoxyphenyl)-3-nitro-6-oxidanyl-indol-2-yl]ethenyl-dimethyl-azanium

Systemtic Name: 2-[7-(acetyloxymethyl)-1-(4-methoxyphenyl)-3-nitro-6-oxidanyl-indol-2-yl]ethenyl-dimethyl-azanium Openeye Name: 2-[7-(acetoxymethyl)-6-hydroxy-1-(4-methoxyphenyl)-3-nitro-indol-2-yl]vinyl-dimethyl-ammonium CAS Name: 2-[7-(acetyloxymethyl)-6-hydroxy-1-(4-methoxyphenyl)-3-nitro-2-indolyl]ethenyl-dimethylammonium IUPAC Name: 2-[7-(acetyloxymethyl)-6-hydroxy-1-(4-methoxyphenyl)-3-nitroindol-2-yl]ethenyl-dimethylazanium Traditional Name: 2-[7-(acetoxymethyl)-6-hydroxy-1-(4-methoxyphenyl)-3-nitro-indol-2-yl]vinyl-dimethyl-ammonium Formula: C22H24N3O6+ MolecularWeight: 426.44246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C=CC2=C1N(C(=C2[N+](=O)[O-])C=C[NH+](C)C)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CC(=O)OCC1=C(C=CC2=C1N(C(=C2[N+](=O)[O-])C=C[NH+](C)C)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C22H23N3O6/c1-14(26)31-13-18-20(27)10-9-17-21(18)24(15-5-7-16(30-4)8-6-15)19(11-12-23(2)3)22(17)25(28)29/h5-12,27H,13H2,1-4H3/p+1