[5-(4-nitrophenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl] butanoate

Systemtic Name: [5-(4-nitrophenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl] butanoate Openeye Name: [5-(4-nitrophenyl)-3-(4-pyridyl)-1,2,4-triazol-1-yl] butanoate CAS Name: butanoic acid [5-(4-nitrophenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl] ester IUPAC Name: [5-(4-nitrophenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl] butanoate Traditional Name: butyric acid [5-(4-nitrophenyl)-3-(4-pyridyl)-1,2,4-triazol-1-yl] ester Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C(=NC(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)ON1C(=NC(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4/c1-2-3-15(23)26-21-17(13-4-6-14(7-5-13)22(24)25)19-16(20-21)12-8-10-18-11-9-12/h4-11H,2-3H2,1H3