[(2S,3R)-3-(3-nitrophenyl)aziridin-1-ium-2-yl]-phenyl-methanone

Systemtic Name: [(2S,3R)-3-(3-nitrophenyl)aziridin-1-ium-2-yl]-phenyl-methanone Openeye Name: [(2S,3R)-3-(3-nitrophenyl)aziridin-1-ium-2-yl]-phenyl-methanone CAS Name: [(2S,3R)-3-(3-nitrophenyl)-2-aziridin-1-iumyl]-phenylmethanone IUPAC Name: [(2S,3R)-3-(3-nitrophenyl)aziridin-1-ium-2-yl]-phenylmethanone Traditional Name: [(2S,3R)-3-(3-nitrophenyl)ethylenimin-1-ium-2-yl]-phenyl-methanone Formula: C15H13N2O3+ MolecularWeight: 269.27532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O3/c18-15(10-5-2-1-3-6-10)14-13(16-14)11-7-4-8-12(9-11)17(19)20/h1-9,13-14,16H/p+1/t13-,14+/m1/s1