phenyl 4-(5-azanylbenzotriazol-2-yl)benzoate

Systemtic Name: phenyl 4-(5-azanylbenzotriazol-2-yl)benzoate Openeye Name: phenyl 4-(5-aminobenzotriazol-2-yl)benzoate CAS Name: 4-(5-amino-2-benzotriazolyl)benzoic acid phenyl ester IUPAC Name: phenyl 4-(5-aminobenzotriazol-2-yl)benzoate Traditional Name: 4-(5-aminobenzotriazol-2-yl)benzoic acid phenyl ester Formula: C19H14N4O2 MolecularWeight: 330.34006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N3N=C4C=CC(=CC4=N3)N

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N3N=C4C=CC(=CC4=N3)N

InChI

InChI=1S/C19H14N4O2/c20-14-8-11-17-18(12-14)22-23(21-17)15-9-6-13(7-10-15)19(24)25-16-4-2-1-3-5-16/h1-12H,20H2