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

Systemtic Name: 3-butyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 3-butyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 3-butyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid IUPAC Name: 3-butyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 3-butyl-1,6-dimethyl-4-(2-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(C(=C(N=C2N(N1)C)C)C(=O)O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C2C(C(=C(N=C2N(N1)C)C)C(=O)O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4/c1-4-5-9-13-17-16(12-8-6-7-10-14(12)23(26)27)15(19(24)25)11(2)20-18(17)22(3)21-13/h6-8,10,16,21H,4-5,9H2,1-3H3,(H,24,25)