ethyl 5-ethanoyl-3-methyl-2,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-carboxylate

Systemtic Name: ethyl 5-ethanoyl-3-methyl-2,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-carboxylate Openeye Name: ethyl 5-acetyl-3-methyl-2,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-carboxylate CAS Name: 5-acetyl-3-methyl-2,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-3-methyl-2,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-carboxylate Traditional Name: 5-acetyl-3-methyl-2,6-diphenyl-1H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-7-carboxylic acid ethyl ester Formula: C23H22N3O3+ MolecularWeight: 388.43908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2NN(C(=[N+]2C(=C1C3=CC=CC=C3)C(=O)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2NN(C(=[N+]2C(=C1C3=CC=CC=C3)C(=O)C)C)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3/c1-4-29-23(28)20-19(17-11-7-5-8-12-17)21(15(2)27)25-16(3)26(24-22(20)25)18-13-9-6-10-14-18/h5-14H,4H2,1-3H3/p+1