3-nitro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: 3-nitro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C18H16N8O3 MolecularWeight: 392.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N8O3/c1-11(2)25-17-13(7-21-25)5-14(8-20-17)23-18(27)12-3-4-15(16(6-12)26(28)29)24-10-19-9-22-24/h3-11H,1-2H3,(H,23,27)