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

Systemtic Name: ethyl 2-(1-chloroethyl)-5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 2-(1-chloroethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylate CAS Name: 2-(1-chloroethyl)-5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-chloroethyl)-5-(4,5-dimethoxy-2-nitrobenzoyl)triazole-4-carboxylate Traditional Name: 2-(1-chloroethyl)-5-(4,5-dimethoxy-2-nitro-benzoyl)triazole-4-carboxylic acid ethyl ester Formula: C16H17ClN4O7 MolecularWeight: 412.78178

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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)C(C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O7/c1-5-28-16(23)14-13(18-20(19-14)8(2)17)15(22)9-6-11(26-3)12(27-4)7-10(9)21(24)25/h6-8H,5H2,1-4H3