dimethyl (Z)-2-(2-phenylindazol-1-ium-1-yl)but-2-enedioate

Systemtic Name: dimethyl (Z)-2-(2-phenylindazol-1-ium-1-yl)but-2-enedioate Openeye Name: dimethyl (Z)-2-(2-phenylindazol-1-ium-1-yl)but-2-enedioate CAS Name: (Z)-2-(2-phenyl-1-indazol-1-iumyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-(2-phenylindazol-1-ium-1-yl)but-2-enedioate Traditional Name: (Z)-2-(2-phenylindazol-1-ium-1-yl)but-2-enedioic acid dimethyl ester Formula: C19H17N2O4+ MolecularWeight: 337.34928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)[N+]1=C2C=CC=CC2=CN1C3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C(/C(=O)OC)\[N+]1=C2C=CC=CC2=CN1C3=CC=CC=C3

InChI

InChI=1S/C19H17N2O4/c1-24-18(22)12-17(19(23)25-2)21-16-11-7-6-8-14(16)13-20(21)15-9-4-3-5-10-15/h3-13H,1-2H3/q+1/b17-12-