5-(benzotriazol-1-ylmethyl)-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-(benzotriazol-1-ylmethyl)-2-methyl-furan-3-carboxylic acid Openeye Name: 5-(benzotriazol-1-ylmethyl)-2-methyl-furan-3-carboxylic acid CAS Name: 5-(1-benzotriazolylmethyl)-2-methyl-3-furancarboxylic acid IUPAC Name: 5-(benzotriazol-1-ylmethyl)-2-methylfuran-3-carboxylic acid Traditional Name: 5-(benzotriazol-1-ylmethyl)-2-methyl-3-furoic acid Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN2C3=CC=CC=C3N=N2)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CN2C3=CC=CC=C3N=N2)C(=O)O

InChI

InChI=1S/C13H11N3O3/c1-8-10(13(17)18)6-9(19-8)7-16-12-5-3-2-4-11(12)14-15-16/h2-6H,7H2,1H3,(H,17,18)