methyl 3-[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C18H17ClN4O4 MolecularWeight: 388.80498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4O4/c1-26-18(25)13-4-7-15-16(10-13)23(22-21-15)27-11-17(24)20-9-8-12-2-5-14(19)6-3-12/h2-7,10H,8-9,11H2,1H3,(H,20,24)