[(4S)-5-cyano-3-methyl-4-(4-nitrophenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]azanium

Systemtic Name: [(4S)-5-cyano-3-methyl-4-(4-nitrophenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]azanium Openeye Name: [(4S)-5-cyano-3-methyl-4-(4-nitrophenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]ammonium CAS Name: [(4S)-5-cyano-3-methyl-4-(4-nitrophenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]ammonium IUPAC Name: [(4S)-5-cyano-3-methyl-4-(4-nitrophenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]azanium Traditional Name: [(4S)-5-cyano-3-methyl-4-(4-nitrophenyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-6-yl]ammonium Formula: C14H13N6O2+ MolecularWeight: 297.29202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(=C(N=C2NN1)[NH3+])C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2[C@@H](C(=C(N=C2NN1)[NH3+])C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N6O2/c1-7-11-12(8-2-4-9(5-3-8)20(21)22)10(6-15)13(16)17-14(11)19-18-7/h2-5,12H,16H2,1H3,(H2,17,18,19)/p+1/t12-/m1/s1