3-[methyl-[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenyl]amino]propanenitrile; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-[methyl-[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenyl]amino]propanenitrile; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]anilino]propanenitrile CAS Name: 2-hydroxy-2-oxoacetate; 3-[N-methyl-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]anilino]propanenitrile IUPAC Name: 2-hydroxy-2-oxoacetate; 3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile Traditional Name: 3-[N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]anilino]propionitrile binoxalate Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N3.C2H2O4/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;3-1(4)2(5)6/h5-6,8-15H,7,17H2,1-4H3;(H,3,4)(H,5,6)/q+1;/p-1