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

Systemtic Name: ethyl 4-[2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C13H12BrN5O5 MolecularWeight: 398.16888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN5O5/c1-2-24-11(21)8-3-5-9(6-4-8)15-10(20)7-18-12(14)16-13(17-18)19(22)23/h3-6H,2,7H2,1H3,(H,15,20)