methyl 1,6-dimethyl-3-(3-methylpentan-3-yl)-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: methyl 1,6-dimethyl-3-(3-methylpentan-3-yl)-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: methyl 3-(1-ethyl-1-methyl-propyl)-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,6-dimethyl-3-(3-methylpentan-3-yl)-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester IUPAC Name: methyl 1,6-dimethyl-3-(3-methylpentan-3-yl)-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 3-(1-ethyl-1-methyl-propyl)-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)C1=C2C(C(=C(N=C2N(N1)C)C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(CC)C1=C2C(C(=C(N=C2N(N1)C)C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-7-22(4,8-2)19-18-17(14-10-9-11-15(12-14)26(28)29)16(21(27)30-6)13(3)23-20(18)25(5)24-19/h9-12,17,24H,7-8H2,1-6H3