ethyl 5-(2-azanyl-4,5-dimethoxy-phenyl)carbonyl-2-(chloromethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-(2-azanyl-4,5-dimethoxy-phenyl)carbonyl-2-(chloromethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(2-amino-4,5-dimethoxy-benzoyl)-2-(chloromethyl)triazole-4-carboxylate CAS Name: 5-[(2-amino-4,5-dimethoxyphenyl)-oxomethyl]-2-(chloromethyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-amino-4,5-dimethoxybenzoyl)-2-(chloromethyl)triazole-4-carboxylate Traditional Name: 5-(2-amino-4,5-dimethoxy-benzoyl)-2-(chloromethyl)triazole-4-carboxylic acid ethyl ester Formula: C15H17ClN4O5 MolecularWeight: 368.77228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(N=C1C(=O)C2=CC(=C(C=C2N)OC)OC)CCl

Isomeric SMILES

CCOC(=O)C1=NN(N=C1C(=O)C2=CC(=C(C=C2N)OC)OC)CCl

InChI

InChI=1S/C15H17ClN4O5/c1-4-25-15(22)13-12(18-20(7-16)19-13)14(21)8-5-10(23-2)11(24-3)6-9(8)17/h5-6H,4,7,17H2,1-3H3