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

Systemtic Name: ethyl 1-(4-chloranyl-2-nitro-phenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 1-(4-chloro-2-nitro-phenyl)-5-methyl-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-chloro-2-nitrophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-chloro-2-nitro-phenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C12H11ClN4O4 MolecularWeight: 310.69314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=N1)C)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C(=N1)C)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H11ClN4O4/c1-3-21-12(18)11-14-7(2)16(15-11)9-5-4-8(13)6-10(9)17(19)20/h4-6H,3H2,1-2H3