4-[(5,6-dimethoxybenzotriazol-1-yl)methyl]benzoate

Systemtic Name: 4-[(5,6-dimethoxybenzotriazol-1-yl)methyl]benzoate Openeye Name: 4-[(5,6-dimethoxybenzotriazol-1-yl)methyl]benzoate CAS Name: 4-[(5,6-dimethoxy-1-benzotriazolyl)methyl]benzoate IUPAC Name: 4-[(5,6-dimethoxybenzotriazol-1-yl)methyl]benzoate Traditional Name: 4-[(5,6-dimethoxybenzotriazol-1-yl)methyl]benzoate Formula: C16H14N3O4- MolecularWeight: 312.30006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)[O-])OC

InChI

InChI=1S/C16H15N3O4/c1-22-14-7-12-13(8-15(14)23-2)19(18-17-12)9-10-3-5-11(6-4-10)16(20)21/h3-8H,9H2,1-2H3,(H,20,21)/p-1