(4S)-4-(3,5-dinitro-2-oxidanyl-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: (4S)-4-(3,5-dinitro-2-oxidanyl-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile Openeye Name: (4S)-4-(2-hydroxy-3,5-dinitro-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile CAS Name: (4S)-4-(2-hydroxy-3,5-dinitrophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile IUPAC Name: (4S)-4-(2-hydroxy-3,5-dinitrophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile Traditional Name: (4S)-4-(2-hydroxy-3,5-dinitro-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile Formula: C15H11N5O5 MolecularWeight: 341.27834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C#N)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=NC(=C([C@H](C1C#N)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])C#N)C

InChI

InChI=1S/C15H11N5O5/c1-7-11(5-16)14(12(6-17)8(2)18-7)10-3-9(19(22)23)4-13(15(10)21)20(24)25/h3-4,11,14,21H,1-2H3/t11?,14-/m0/s1