dimethyl 2-[2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C14H12BrN5O7 MolecularWeight: 442.17838

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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-])Br

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrN5O7/c1-26-11(22)7-3-4-8(12(23)27-2)9(5-7)16-10(21)6-19-13(15)17-14(18-19)20(24)25/h3-5H,6H2,1-2H3,(H,16,21)