2-[3,3-dimethyl-2-[(E)-2-(5-nitro-2-oxidanidyl-phenyl)ethenyl]-1,2-dihydroindol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[3,3-dimethyl-2-[(E)-2-(5-nitro-2-oxidanidyl-phenyl)ethenyl]-1,2-dihydroindol-1-ium-1-yl]ethanoate Openeye Name: 2-[3,3-dimethyl-2-[(E)-2-(5-nitro-2-oxido-phenyl)vinyl]indolin-1-ium-1-yl]acetate CAS Name: 2-[3,3-dimethyl-2-[(E)-2-(5-nitro-2-oxidophenyl)ethenyl]-1,2-dihydroindol-1-ium-1-yl]acetate IUPAC Name: 2-[3,3-dimethyl-2-[(E)-2-(5-nitro-2-oxidophenyl)ethenyl]-1,2-dihydroindol-1-ium-1-yl]acetate Traditional Name: 2-[3,3-dimethyl-2-[(E)-2-(5-nitro-2-oxido-phenyl)vinyl]indolin-1-ium-1-yl]acetate Formula: C20H19N2O5- MolecularWeight: 367.37526

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([NH+](C2=CC=CC=C21)CC(=O)[O-])C=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1(C([NH+](C2=CC=CC=C21)CC(=O)[O-])/C=C/C3=C(C=CC(=C3)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C20H20N2O5/c1-20(2)15-5-3-4-6-16(15)21(12-19(24)25)18(20)10-7-13-11-14(22(26)27)8-9-17(13)23/h3-11,18,23H,12H2,1-2H3,(H,24,25)/p-1/b10-7+