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

Systemtic Name: ethyl 5-(2-azanyl-4,5-dimethoxy-phenyl)carbonyl-2-(1-chloroethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(2-amino-4,5-dimethoxy-benzoyl)-2-(1-chloroethyl)triazole-4-carboxylate CAS Name: 5-[(2-amino-4,5-dimethoxyphenyl)-oxomethyl]-2-(1-chloroethyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-amino-4,5-dimethoxybenzoyl)-2-(1-chloroethyl)triazole-4-carboxylate Traditional Name: 5-(2-amino-4,5-dimethoxy-benzoyl)-2-(1-chloroethyl)triazole-4-carboxylic acid ethyl ester Formula: C16H19ClN4O5 MolecularWeight: 382.79886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4O5/c1-5-26-16(23)14-13(19-21(20-14)8(2)17)15(22)9-6-11(24-3)12(25-4)7-10(9)18/h6-8H,5,18H2,1-4H3