2-(3-nitropyridin-2-yl)-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-one

Systemtic Name: 2-(3-nitropyridin-2-yl)-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-one Openeye Name: 4-(4-isopropylphenyl)-2-(3-nitro-2-pyridyl)-1,2,4-triazol-3-one CAS Name: 2-(3-nitro-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-one IUPAC Name: 2-(3-nitropyridin-2-yl)-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-one Traditional Name: 2-(3-nitro-2-pyridyl)-4-p-cumenyl-1,2,4-triazol-3-one Formula: C16H15N5O3 MolecularWeight: 325.322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C=NN(C2=O)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C=NN(C2=O)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O3/c1-11(2)12-5-7-13(8-6-12)19-10-18-20(16(19)22)15-14(21(23)24)4-3-9-17-15/h3-11H,1-2H3