[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-chloranyl-benzoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 2-azanyl-5-chloranyl-benzoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 2-amino-5-chloro-benzoate CAS Name: 2-amino-5-chlorobenzoic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 2-amino-5-chlorobenzoate Traditional Name: 2-amino-5-chloro-benzoic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C1=C(C=CC(=C1)Cl)N

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)C1=C(C=CC(=C1)Cl)N

InChI

InChI=1S/C16H19ClN2O3/c1-4-16(5-2,6-3)19-14(20)10-22-15(21)12-9-11(17)7-8-13(12)18/h1,7-9H,5-6,10,18H2,2-3H3,(H,19,20)