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

Systemtic Name: ethyl 5-(4-chloranyl-2-nitro-phenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(4-chloro-2-nitro-benzoyl)-2H-triazole-4-carboxylate CAS Name: 5-[(4-chloro-2-nitrophenyl)-oxomethyl]-2H-triazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chloro-2-nitrobenzoyl)-2H-triazole-4-carboxylate Traditional Name: 5-(4-chloro-2-nitro-benzoyl)-2H-triazole-4-carboxylic acid ethyl ester Formula: C12H9ClN4O5 MolecularWeight: 324.67666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNN=C1C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NNN=C1C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClN4O5/c1-2-22-12(19)10-9(14-16-15-10)11(18)7-4-3-6(13)5-8(7)17(20)21/h3-5H,2H2,1H3,(H,14,15,16)