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

Systemtic Name: methyl 4-(5-azanylbenzotriazol-2-yl)benzoate Openeye Name: methyl 4-(5-aminobenzotriazol-2-yl)benzoate CAS Name: 4-(5-amino-2-benzotriazolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-aminobenzotriazol-2-yl)benzoate Traditional Name: 4-(5-aminobenzotriazol-2-yl)benzoic acid methyl ester Formula: C14H12N4O2 MolecularWeight: 268.27068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)N

InChI

InChI=1S/C14H12N4O2/c1-20-14(19)9-2-5-11(6-3-9)18-16-12-7-4-10(15)8-13(12)17-18/h2-8H,15H2,1H3