methyl 3-[(E)-2-(1,3,3-trimethyl-5-nitro-indol-1-ium-2-yl)ethenyl]benzoate

Systemtic Name: methyl 3-[(E)-2-(1,3,3-trimethyl-5-nitro-indol-1-ium-2-yl)ethenyl]benzoate Openeye Name: methyl 3-[(E)-2-(1,3,3-trimethyl-5-nitro-indol-1-ium-2-yl)vinyl]benzoate CAS Name: 3-[(E)-2-(1,3,3-trimethyl-5-nitro-2-indol-1-iumyl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(E)-2-(1,3,3-trimethyl-5-nitroindol-1-ium-2-yl)ethenyl]benzoate Traditional Name: 3-[(E)-2-(1,3,3-trimethyl-5-nitro-indol-1-ium-2-yl)vinyl]benzoic acid methyl ester Formula: C21H21N2O4+ MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)[N+](=O)[O-])[N+](=C1C=CC3=CC(=CC=C3)C(=O)OC)C)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)[N+](=O)[O-])[N+](=C1/C=C/C3=CC(=CC=C3)C(=O)OC)C)C

InChI

InChI=1S/C21H21N2O4/c1-21(2)17-13-16(23(25)26)9-10-18(17)22(3)19(21)11-8-14-6-5-7-15(12-14)20(24)27-4/h5-13H,1-4H3/q+1/b11-8+