1-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylic acid

Systemtic Name: 1-[2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylic acid Openeye Name: 1-[2-(5-chloro-2,4-dimethoxy-anilino)-2-oxo-ethyl]triazole-4,5-dicarboxylic acid CAS Name: 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]triazole-4,5-dicarboxylic acid IUPAC Name: 1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]triazole-4,5-dicarboxylic acid Traditional Name: 1-[2-(5-chloro-2,4-dimethoxy-anilino)-2-keto-ethyl]triazole-4,5-dicarboxylic acid Formula: C14H13ClN4O7 MolecularWeight: 384.72862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CN2C(=C(N=N2)C(=O)O)C(=O)O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CN2C(=C(N=N2)C(=O)O)C(=O)O)Cl)OC

InChI

InChI=1S/C14H13ClN4O7/c1-25-8-4-9(26-2)7(3-6(8)15)16-10(20)5-19-12(14(23)24)11(13(21)22)17-18-19/h3-4H,5H2,1-2H3,(H,16,20)(H,21,22)(H,23,24)