2-[(4S)-3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl]-4,6-dinitro-phenolate

Systemtic Name: 2-[(4S)-3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl]-4,6-dinitro-phenolate Openeye Name: 2-[(4S)-3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl]-4,6-dinitro-phenolate CAS Name: 2-[(4S)-3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl]-4,6-dinitrophenolate IUPAC Name: 2-[(4S)-3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl]-4,6-dinitrophenolate Traditional Name: 2-[(4S)-3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl]-4,6-dinitro-phenolate Formula: C15H10N5O5- MolecularWeight: 340.2704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC(=C([C@H](C1C#N)C2=CC(=CC(=C2[O-])[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/p-1/t11?,14-/m0/s1