5-[(5,6-dimethoxybenzotriazol-1-yl)methyl]furan-2-carboxylate

Systemtic Name: 5-[(5,6-dimethoxybenzotriazol-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(5,6-dimethoxybenzotriazol-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(5,6-dimethoxy-1-benzotriazolyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(5,6-dimethoxybenzotriazol-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(5,6-dimethoxybenzotriazol-1-yl)methyl]-2-furoate Formula: C14H12N3O5- MolecularWeight: 302.26218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=NN2CC3=CC=C(O3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=NN2CC3=CC=C(O3)C(=O)[O-])OC

InChI

InChI=1S/C14H13N3O5/c1-20-12-5-9-10(6-13(12)21-2)17(16-15-9)7-8-3-4-11(22-8)14(18)19/h3-6H,7H2,1-2H3,(H,18,19)/p-1