methyl (E)-2-methyl-3-phenylazanyl-3-(2,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)prop-2-enoate

Systemtic Name: methyl (E)-2-methyl-3-phenylazanyl-3-(2,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)prop-2-enoate Openeye Name: methyl (E)-3-anilino-2-methyl-3-(2,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)prop-2-enoate CAS Name: (E)-3-anilino-2-methyl-3-(2,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-anilino-2-methyl-3-(2,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)prop-2-enoate Traditional Name: (E)-3-anilino-2-methyl-3-(2,4,5-triphenyl-1,2,4-triazol-4-ium-3-yl)acrylic acid methyl ester Formula: C31H27N4O2+ MolecularWeight: 487.57168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=[N+](C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)NC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

C/C(=C(/C1=[N+](C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)\NC5=CC=CC=C5)/C(=O)OC

InChI

InChI=1S/C31H26N4O2/c1-23(31(36)37-2)28(32-25-17-9-4-10-18-25)30-34(26-19-11-5-12-20-26)29(24-15-7-3-8-16-24)33-35(30)27-21-13-6-14-22-27/h3-22H,1-2H3/p+1