tert-butyl (5E)-5-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-4-(phenylmethyl)-2H-pyrazin-1-ium-1-carboxylate methanoate

Systemtic Name: tert-butyl (5E)-5-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-4-(phenylmethyl)-2H-pyrazin-1-ium-1-carboxylate methanoate Openeye Name: tert-butyl (5E)-4-benzyl-5-[(3-methoxyphenyl)methylene]-3-oxo-2H-pyrazin-1-ium-1-carboxylate formate CAS Name: (5E)-5-[(3-methoxyphenyl)methylidene]-3-oxo-4-(phenylmethyl)-2H-pyrazin-1-ium-1-carboxylic acid tert-butyl ester formate IUPAC Name: tert-butyl (5E)-4-benzyl-5-[(3-methoxyphenyl)methylidene]-3-oxo-2H-pyrazin-1-ium-1-carboxylate formate Traditional Name: (5E)-4-benzyl-3-keto-5-m-anisylidene-2H-pyrazin-1-ium-1-carboxylic acid tert-butyl ester formate Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1=CC(=CC2=CC(=CC=C2)OC)N(C(=O)C1)CC3=CC=CC=C3.C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1=C/C(=C\C2=CC(=CC=C2)OC)/N(C(=O)C1)CC3=CC=CC=C3.C(=O)[O-]

InChI

InChI=1S/C24H27N2O4.CH2O2/c1-24(2,3)30-23(28)25-16-20(13-19-11-8-12-21(14-19)29-4)26(22(27)17-25)15-18-9-6-5-7-10-18;2-1-3/h5-14,16H,15,17H2,1-4H3;1H,(H,2,3)/q+1;/p-1/b20-13+;