O1,O2-diethyl O3-methyl 5-methyl-3-(4-nitrophenyl)-1,2,4-triazole-1,2,3-tricarboxylate

Systemtic Name: O1,O2-diethyl O3-methyl 5-methyl-3-(4-nitrophenyl)-1,2,4-triazole-1,2,3-tricarboxylate Openeye Name: O1,O2-diethyl O3-methyl 5-methyl-3-(4-nitrophenyl)-1,2,4-triazole-1,2,3-tricarboxylate CAS Name: 5-methyl-3-(4-nitrophenyl)-1,2,4-triazole-1,2,3-tricarboxylic acid O1,O2-diethyl ester O3-methyl ester IUPAC Name: 1-O,2-O-diethyl 3-O-methyl 5-methyl-3-(4-nitrophenyl)-1,2,4-triazole-1,2,3-tricarboxylate Traditional Name: 5-methyl-3-(4-nitrophenyl)-1,2,4-triazole-1,2,3-tricarboxylic acid O1,O2-diethyl ester O3-methyl ester Formula: C17H20N4O8 MolecularWeight: 408.3627

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=NC(N1C(=O)OCC)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCOC(=O)N1C(=NC(N1C(=O)OCC)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C

InChI

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