3-cyclohexyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 3-cyclohexyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 3-cyclohexyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 3-cyclohexyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid IUPAC Name: 3-cyclohexyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 3-cyclohexyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(NN(C2=N1)C)C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C2=C(NN(C2=N1)C)C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H24N4O4/c1-12-16(21(26)27)17(14-9-6-10-15(11-14)25(28)29)18-19(13-7-4-3-5-8-13)23-24(2)20(18)22-12/h6,9-11,13,17,23H,3-5,7-8H2,1-2H3,(H,26,27)