methyl 2-[2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C12H10BrN5O5 MolecularWeight: 384.1423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H10BrN5O5/c1-23-10(20)7-4-2-3-5-8(7)14-9(19)6-17-11(13)15-12(16-17)18(21)22/h2-5H,6H2,1H3,(H,14,19)