[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C17H15IN4O3 MolecularWeight: 450.23047

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)I)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)I)N=N1

InChI

InChI=1S/C17H15IN4O3/c1-2-22-15-7-6-11(8-14(15)20-21-22)17(24)25-10-16(23)19-13-5-3-4-12(18)9-13/h3-9H,2,10H2,1H3,(H,19,23)