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

Systemtic Name: methyl 4-[2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C13H13N5O5 MolecularWeight: 319.27282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5/c1-8-14-13(18(21)22)16-17(8)7-11(19)15-10-5-3-9(4-6-10)12(20)23-2/h3-6H,7H2,1-2H3,(H,15,19)