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

Systemtic Name: ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(2-dimethylaminoethylcarbamoyloxymethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(2-dimethylaminoethylcarbamoyloxymethyl)triazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-2-[[(2-dimethylaminoethylamino)-oxomethoxy]methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4,5-dimethoxy-2-nitrobenzoyl)-2-(2-dimethylaminoethylcarbamoyloxymethyl)triazole-4-carboxylate Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(2-dimethylaminoethylcarbamoyloxymethyl)triazole-4-carboxylic acid ethyl ester Formula: C20H26N6O9 MolecularWeight: 494.45524

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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)COC(=O)NCCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O9/c1-6-34-19(28)17-16(22-25(23-17)11-35-20(29)21-7-8-24(2)3)18(27)12-9-14(32-4)15(33-5)10-13(12)26(30)31/h9-10H,6-8,11H2,1-5H3,(H,21,29)