[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C18H13N5O3 MolecularWeight: 347.32752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3)C#N

InChI

InChI=1S/C18H13N5O3/c19-9-13-2-1-3-15(8-13)22-17(24)10-26-18(25)14-4-6-16(7-5-14)23-12-20-11-21-23/h1-8,11-12H,10H2,(H,22,24)