[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H21N5O4/c1-13(2)21-20(28)22-18(26)12-29-19(27)15-9-7-14(8-10-15)11-25-17-6-4-3-5-16(17)23-24-25/h3-10,13H,11-12H2,1-2H3,(H2,21,22,26,28)