1,3-dimethyl-N-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1,3-dimethyl-N-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1,3-dimethyl-N-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1,3-dimethyl-N-[[4-nitro-3-(trifluoromethyl)anilino]-oxomethyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1,3-dimethyl-N-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1,3-dimethyl-N-[[4-nitro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C17H13F3N6O4 MolecularWeight: 422.31813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)NC(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)NC(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)C

InChI

InChI=1S/C17H13F3N6O4/c1-8-11-5-9(7-21-14(11)25(2)24-8)15(27)23-16(28)22-10-3-4-13(26(29)30)12(6-10)17(18,19)20/h3-7H,1-2H3,(H2,22,23,27,28)