methyl 4-[3-(benzotriazol-1-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(benzotriazol-1-yl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(benzotriazol-1-yl)propanoylamino]benzoate CAS Name: 4-[[3-(1-benzotriazolyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(benzotriazol-1-yl)propanoylamino]benzoate Traditional Name: 4-[3-(benzotriazol-1-yl)propanoylamino]benzoic acid methyl ester Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H16N4O3/c1-24-17(23)12-6-8-13(9-7-12)18-16(22)10-11-21-15-5-3-2-4-14(15)19-20-21/h2-9H,10-11H2,1H3,(H,18,22)