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

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

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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-]

Isomeric SMILES

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

InChI

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