dimethyl 2-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(3-nitro-1,2,4-triazol-1-yl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C14H13N5O7 MolecularWeight: 363.28232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O7/c1-25-12(21)8-3-4-9(13(22)26-2)10(5-8)16-11(20)6-18-7-15-14(17-18)19(23)24/h3-5,7H,6H2,1-2H3,(H,16,20)