(2S,5S)-2,5-bis(3-nitrophenyl)pyrrolidin-1-ium-3,3,4,4-tetracarbonitrile

Systemtic Name: (2S,5S)-2,5-bis(3-nitrophenyl)pyrrolidin-1-ium-3,3,4,4-tetracarbonitrile Openeye Name: (2S,5S)-2,5-bis(3-nitrophenyl)pyrrolidin-1-ium-3,3,4,4-tetracarbonitrile CAS Name: (2S,5S)-2,5-bis(3-nitrophenyl)pyrrolidin-1-ium-3,3,4,4-tetracarbonitrile IUPAC Name: (2S,5S)-2,5-bis(3-nitrophenyl)pyrrolidin-1-ium-3,3,4,4-tetracarbonitrile Traditional Name: (2S,5S)-2,5-bis(3-nitrophenyl)pyrrolidin-1-ium-3,3,4,4-tetracarbonitrile Formula: C20H12N7O4+ MolecularWeight: 414.35378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(C([NH2+]2)C3=CC(=CC=C3)[N+](=O)[O-])(C#N)C#N)(C#N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])[C@H]2C(C([C@@H]([NH2+]2)C3=CC(=CC=C3)[N+](=O)[O-])(C#N)C#N)(C#N)C#N

InChI

InChI=1S/C20H11N7O4/c21-9-19(10-22)17(13-3-1-5-15(7-13)26(28)29)25-18(20(19,11-23)12-24)14-4-2-6-16(8-14)27(30)31/h1-8,17-18,25H/p+1/t17-,18-/m0/s1