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

Systemtic Name: ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(ethoxymethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(ethoxymethyl)triazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-2-(ethoxymethyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4,5-dimethoxy-2-nitrobenzoyl)-2-(ethoxymethyl)triazole-4-carboxylate Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(ethoxymethyl)triazole-4-carboxylic acid ethyl ester Formula: C17H20N4O8 MolecularWeight: 408.3627

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1N=C(C(=N1)C(=O)OCC)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOCN1N=C(C(=N1)C(=O)OCC)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C17H20N4O8/c1-5-28-9-20-18-14(15(19-20)17(23)29-6-2)16(22)10-7-12(26-3)13(27-4)8-11(10)21(24)25/h7-8H,5-6,9H2,1-4H3