1-[(E)-(4-methoxyphenyl)-[(2-methyl-3-phenyl-azirin-2-yl)methylidene]azaniumyl]-2,2-diphenyl-ethenolate

Systemtic Name: 1-[(E)-(4-methoxyphenyl)-[(2-methyl-3-phenyl-azirin-2-yl)methylidene]azaniumyl]-2,2-diphenyl-ethenolate Openeye Name: 1-[(E)-(4-methoxyphenyl)-[(2-methyl-3-phenyl-azirin-2-yl)methylene]ammonio]-2,2-diphenyl-ethenolate CAS Name: 1-[(E)-(4-methoxyphenyl)-[(2-methyl-3-phenyl-2-azirinyl)methylidene]ammonio]-2,2-diphenylethenolate IUPAC Name: 1-[(E)-(4-methoxyphenyl)-[(2-methyl-3-phenylazirin-2-yl)methylidene]azaniumyl]-2,2-diphenylethenolate Traditional Name: 1-[(E)-(4-methoxyphenyl)-[(2-methyl-3-phenyl-azirin-2-yl)methylene]ammonio]-2,2-diphenyl-ethenolate Formula: C31H26N2O2 MolecularWeight: 458.55034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=N1)C2=CC=CC=C2)C=[N+](C3=CC=C(C=C3)OC)C(=C(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

Isomeric SMILES

CC1(C(=N1)C2=CC=CC=C2)/C=[N+](\C3=CC=C(C=C3)OC)/C(=C(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C31H26N2O2/c1-31(29(32-31)25-16-10-5-11-17-25)22-33(26-18-20-27(35-2)21-19-26)30(34)28(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-22H,1-2H3/b33-22+