tert-butyl 3-methanoyl-5-(1,2,4-triazol-4-yl)indole-1-carboxylate

Systemtic Name: tert-butyl 3-methanoyl-5-(1,2,4-triazol-4-yl)indole-1-carboxylate Openeye Name: tert-butyl 3-formyl-5-(1,2,4-triazol-4-yl)indole-1-carboxylate CAS Name: 3-formyl-5-(1,2,4-triazol-4-yl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-formyl-5-(1,2,4-triazol-4-yl)indole-1-carboxylate Traditional Name: 3-formyl-5-(1,2,4-triazol-4-yl)indole-1-carboxylic acid tert-butyl ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)N3C=NN=C3)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)N3C=NN=C3)C=O

InChI

InChI=1S/C16H16N4O3/c1-16(2,3)23-15(22)20-7-11(8-21)13-6-12(4-5-14(13)20)19-9-17-18-10-19/h4-10H,1-3H3