ethyl 5-(2-azanyl-5-chloranyl-phenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-(2-azanyl-5-chloranyl-phenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(2-amino-5-chloro-benzoyl)-2H-triazole-4-carboxylate CAS Name: 5-[(2-amino-5-chlorophenyl)-oxomethyl]-2H-triazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-amino-5-chlorobenzoyl)-2H-triazole-4-carboxylate Traditional Name: 5-(2-amino-5-chloro-benzoyl)-2H-triazole-4-carboxylic acid ethyl ester Formula: C12H11ClN4O3 MolecularWeight: 294.69374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNN=C1C(=O)C2=C(C=CC(=C2)Cl)N

Isomeric SMILES

CCOC(=O)C1=NNN=C1C(=O)C2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C12H11ClN4O3/c1-2-20-12(19)10-9(15-17-16-10)11(18)7-5-6(13)3-4-8(7)14/h3-5H,2,14H2,1H3,(H,15,16,17)