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

Systemtic Name: methyl 1,6-dimethyl-4-(3-nitrophenyl)-3-pentyl-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: methyl 1,6-dimethyl-4-(3-nitrophenyl)-3-pentyl-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,6-dimethyl-4-(3-nitrophenyl)-3-pentyl-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester IUPAC Name: methyl 1,6-dimethyl-4-(3-nitrophenyl)-3-pentyl-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 3-amyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C(C(=C(N=C2N(N1)C)C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=C2C(C(=C(N=C2N(N1)C)C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-5-6-7-11-16-19-18(14-9-8-10-15(12-14)25(27)28)17(21(26)29-4)13(2)22-20(19)24(3)23-16/h8-10,12,18,23H,5-7,11H2,1-4H3