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

Systemtic Name: ethyl 5-(4,5-dimethoxy-2-nitro-phenyl)carbonyl-2-(propan-2-yloxymethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(isopropoxymethyl)triazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-2-(propan-2-yloxymethyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4,5-dimethoxy-2-nitrobenzoyl)-2-(propan-2-yloxymethyl)triazole-4-carboxylate Traditional Name: 5-(4,5-dimethoxy-2-nitro-benzoyl)-2-(isopropoxymethyl)triazole-4-carboxylic acid ethyl ester Formula: C18H22N4O8 MolecularWeight: 422.38928

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O8/c1-6-29-18(24)16-15(19-21(20-16)9-30-10(2)3)17(23)11-7-13(27-4)14(28-5)8-12(11)22(25)26/h7-8,10H,6,9H2,1-5H3