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

Systemtic Name: methyl 3-but-3-enyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: methyl 3-but-3-enyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 3-but-3-enyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-but-3-enyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 3-but-3-enyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(NN(C2=N1)C)CCC=C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(NN(C2=N1)C)CCC=C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H22N4O4/c1-5-6-10-15-18-17(13-8-7-9-14(11-13)24(26)27)16(20(25)28-4)12(2)21-19(18)23(3)22-15/h5,7-9,11,17,22H,1,6,10H2,2-4H3