[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C1=CC(=CC=C1)N2C=NN=N2

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)C1=CC(=CC=C1)N2C=NN=N2

InChI

InChI=1S/C17H19N5O3/c1-4-17(5-2,6-3)19-15(23)11-25-16(24)13-8-7-9-14(10-13)22-12-18-20-21-22/h1,7-10,12H,5-6,11H2,2-3H3,(H,19,23)