methyl 4-[[2-(6-chloranylbenzotriazol-1-yl)oxyethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(6-chloranylbenzotriazol-1-yl)oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(6-chloro-1-benzotriazolyl)oxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C17H15ClN4O4 MolecularWeight: 374.7784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2

InChI

InChI=1S/C17H15ClN4O4/c1-25-17(24)12-4-2-11(3-5-12)9-19-16(23)10-26-22-15-8-13(18)6-7-14(15)20-21-22/h2-8H,9-10H2,1H3,(H,19,23)