2-[1-ethanoyl-3-[(4-nitrophenyl)methyl]-5-oxidanylidene-1,2,4-triazol-4-yl]ethyl ethanoate

Systemtic Name: 2-[1-ethanoyl-3-[(4-nitrophenyl)methyl]-5-oxidanylidene-1,2,4-triazol-4-yl]ethyl ethanoate Openeye Name: 2-[1-acetyl-3-[(4-nitrophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]ethyl acetate CAS Name: acetic acid 2-[1-acetyl-3-[(4-nitrophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]ethyl ester IUPAC Name: 2-[1-acetyl-3-[(4-nitrophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]ethyl acetate Traditional Name: acetic acid 2-[1-acetyl-5-keto-3-(4-nitrobenzyl)-1,2,4-triazol-4-yl]ethyl ester Formula: C15H16N4O6 MolecularWeight: 348.31074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=O)N(C(=N1)CC2=CC=C(C=C2)[N+](=O)[O-])CCOC(=O)C

Isomeric SMILES

CC(=O)N1C(=O)N(C(=N1)CC2=CC=C(C=C2)[N+](=O)[O-])CCOC(=O)C

InChI

InChI=1S/C15H16N4O6/c1-10(20)18-15(22)17(7-8-25-11(2)21)14(16-18)9-12-3-5-13(6-4-12)19(23)24/h3-6H,7-9H2,1-2H3