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

Systemtic Name: ethyl 3-(4-chloranyl-2-nitro-phenyl)-5-(phenylcarbonyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-benzoyl-3-(4-chloro-2-nitro-phenyl)triazole-4-carboxylate CAS Name: 5-benzoyl-3-(4-chloro-2-nitrophenyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzoyl-3-(4-chloro-2-nitrophenyl)triazole-4-carboxylate Traditional Name: 5-benzoyl-3-(4-chloro-2-nitro-phenyl)triazole-4-carboxylic acid ethyl ester Formula: C18H13ClN4O5 MolecularWeight: 400.77262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=NN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=NN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13ClN4O5/c1-2-28-18(25)16-15(17(24)11-6-4-3-5-7-11)20-21-22(16)13-9-8-12(19)10-14(13)23(26)27/h3-10H,2H2,1H3