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

Systemtic Name: ethyl 4-[2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H15N5O5 MolecularWeight: 333.2994

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O5/c1-3-24-13(21)10-4-6-11(7-5-10)16-12(20)8-18-9(2)15-14(17-18)19(22)23/h4-7H,3,8H2,1-2H3,(H,16,20)