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

Systemtic Name: 3-cycloheptyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 3-cycloheptyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 3-cycloheptyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid IUPAC Name: 3-cycloheptyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 3-cycloheptyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(NN(C2=N1)C)C3CCCCCC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C2=C(NN(C2=N1)C)C3CCCCCC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H26N4O4/c1-13-17(22(27)28)18(15-10-7-11-16(12-15)26(29)30)19-20(24-25(2)21(19)23-13)14-8-5-3-4-6-9-14/h7,10-12,14,18,24H,3-6,8-9H2,1-2H3,(H,27,28)