dimethyl 1-(4-methoxyphenyl)-3,3a-diphenyl-6H-pyrrolo[1,2-c][1,2,3]triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-(4-methoxyphenyl)-3,3a-diphenyl-6H-pyrrolo[1,2-c][1,2,3]triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-(4-methoxyphenyl)-3,3a-diphenyl-6H-pyrrolo[1,2-c]triazole-4,5-dicarboxylate CAS Name: 1-(4-methoxyphenyl)-3,3a-diphenyl-6H-pyrrolo[1,2-c]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(4-methoxyphenyl)-3,3a-diphenyl-6H-pyrrolo[1,2-c]triazole-4,5-dicarboxylate Traditional Name: 1-(4-methoxyphenyl)-3,3a-diphenyl-6H-pyrrolo[1,2-c]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C28H25N3O5 MolecularWeight: 483.5152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C(C3(N2CC(=C3C(=O)OC)C(=O)OC)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C(C3(N2CC(=C3C(=O)OC)C(=O)OC)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O5/c1-34-22-16-14-21(15-17-22)31-29-25(19-10-6-4-7-11-19)28(20-12-8-5-9-13-20)24(27(33)36-3)23(18-30(28)31)26(32)35-2/h4-17H,18H2,1-3H3