[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C18H16BrN3O4 MolecularWeight: 418.24134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Br)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Br)N=N1

InChI

InChI=1S/C18H16BrN3O4/c1-3-22-15-6-4-12(9-14(15)20-21-22)18(24)26-10-16(23)11-5-7-17(25-2)13(19)8-11/h4-9H,3,10H2,1-2H3