2-nitro-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline ethanoate

Systemtic Name: 2-nitro-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline ethanoate Openeye Name: 2-nitro-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]aniline acetate CAS Name: 2-nitro-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]aniline acetate IUPAC Name: 2-nitro-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline acetate Traditional Name: (2-nitrophenyl)-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine acetate Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=NNC3=CC=CC=C3[N+](=O)[O-])C)C

Isomeric SMILES

CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1/C=N/NC3=CC=CC=C3[N+](=O)[O-])C)C

InChI

InChI=1S/C18H18N4O2.C2H4O2/c1-18(2)13-8-4-6-10-15(13)21(3)17(18)12-19-20-14-9-5-7-11-16(14)22(23)24;1-2(3)4/h4-12H,1-3H3;1H3,(H,3,4)