1-[(2R,3R)-1-(diphenylmethyl)-3-(4-nitrophenyl)aziridin-2-yl]-3-methyl-but-2-en-1-one

Systemtic Name: 1-[(2R,3R)-1-(diphenylmethyl)-3-(4-nitrophenyl)aziridin-2-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[(2R,3R)-1-benzhydryl-3-(4-nitrophenyl)aziridin-2-yl]-3-methyl-but-2-en-1-one CAS Name: 1-[(2R,3R)-1-(diphenylmethyl)-3-(4-nitrophenyl)-2-aziridinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[(2R,3R)-1-benzhydryl-3-(4-nitrophenyl)aziridin-2-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[(2R,3R)-1-benzhydryl-3-(4-nitrophenyl)ethylenimin-2-yl]-3-methyl-but-2-en-1-one Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC(=CC(=O)[C@H]1[C@H](N1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H24N2O3/c1-18(2)17-23(29)26-25(21-13-15-22(16-14-21)28(30)31)27(26)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,24-26H,1-2H3/t25-,26+,27?/m1/s1