(4-methoxyphenyl)-[(2S,3S)-3-(2-nitrophenyl)aziridin-1-ium-2-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[(2S,3S)-3-(2-nitrophenyl)aziridin-1-ium-2-yl]methanone Openeye Name: (4-methoxyphenyl)-[(2S,3S)-3-(2-nitrophenyl)aziridin-1-ium-2-yl]methanone CAS Name: (4-methoxyphenyl)-[(2S,3S)-3-(2-nitrophenyl)-2-aziridin-1-iumyl]methanone IUPAC Name: (4-methoxyphenyl)-[(2S,3S)-3-(2-nitrophenyl)aziridin-1-ium-2-yl]methanone Traditional Name: (4-methoxyphenyl)-[(2S,3S)-3-(2-nitrophenyl)ethylenimin-1-ium-2-yl]methanone Formula: C16H15N2O4+ MolecularWeight: 299.3013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2C([NH2+]2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)[C@@H]2[C@@H]([NH2+]2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O4/c1-22-11-8-6-10(7-9-11)16(19)15-14(17-15)12-4-2-3-5-13(12)18(20)21/h2-9,14-15,17H,1H3/p+1/t14-,15-/m0/s1