ethyl 2-(chloromethyl)-5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 2-(chloromethyl)-5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 2-(chloromethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylate CAS Name: 2-(chloromethyl)-5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(chloromethyl)-5-(4,5-dimethoxy-2-nitrobenzoyl)triazole-4-carboxylate Traditional Name: 2-(chloromethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylic acid ethyl ester Formula: C15H15ClN4O7 MolecularWeight: 398.7552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(N=C1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)CCl

Isomeric SMILES

CCOC(=O)C1=NN(N=C1C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)CCl

InChI

InChI=1S/C15H15ClN4O7/c1-4-27-15(22)13-12(17-19(7-16)18-13)14(21)8-5-10(25-2)11(26-3)6-9(8)20(23)24/h5-6H,4,7H2,1-3H3