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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C18H15N5O3 MolecularWeight: 349.3434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O3/c1-2-23-16-7-6-13(9-15(16)21-22-23)18(25)26-11-17(24)20-14-5-3-4-12(8-14)10-19/h3-9H,2,11H2,1H3,(H,20,24)