2-[3-methyl-1-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbonyl-4-nitro-phenolate

Systemtic Name: 2-[3-methyl-1-(4-nitrophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbonyl-4-nitro-phenolate Openeye Name: 2-[3-methyl-1-(4-nitrophenyl)pyrazolo[3,4-b]pyridine-5-carbonyl]-4-nitro-phenolate CAS Name: 2-[[3-methyl-1-(4-nitrophenyl)-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]-4-nitrophenolate IUPAC Name: 2-[3-methyl-1-(4-nitrophenyl)pyrazolo[3,4-b]pyridine-5-carbonyl]-4-nitrophenolate Traditional Name: 2-[3-methyl-1-(4-nitrophenyl)pyrazolo[3,4-b]pyridine-5-carbonyl]-4-nitro-phenolate Formula: C20H12N5O6- MolecularWeight: 418.33918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O6/c1-11-16-8-12(19(27)17-9-15(25(30)31)6-7-18(17)26)10-21-20(16)23(22-11)13-2-4-14(5-3-13)24(28)29/h2-10,26H,1H3/p-1