1,6-dimethyl-3-(2-nitrophenyl)-3-propan-2-yl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 1,6-dimethyl-3-(2-nitrophenyl)-3-propan-2-yl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 3-isopropyl-1,6-dimethyl-3-(2-nitrophenyl)-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 1,6-dimethyl-3-(2-nitrophenyl)-3-propan-2-yl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid IUPAC Name: 1,6-dimethyl-3-(2-nitrophenyl)-3-propan-2-yl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 3-isopropyl-1,6-dimethyl-3-(2-nitrophenyl)-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2=C(N1)N(NC2(C3=CC=CC=C3[N+](=O)[O-])C(C)C)C)C(=O)O

Isomeric SMILES

CC1=C(CC2=C(N1)N(NC2(C3=CC=CC=C3[N+](=O)[O-])C(C)C)C)C(=O)O

InChI

InChI=1S/C18H22N4O4/c1-10(2)18(13-7-5-6-8-15(13)22(25)26)14-9-12(17(23)24)11(3)19-16(14)21(4)20-18/h5-8,10,19-20H,9H2,1-4H3,(H,23,24)