methyl (2R)-2-[(2S)-2-[(4-bromophenyl)carbamoyl]aziridin-1-yl]-3-methyl-butanoate

Systemtic Name: methyl (2R)-2-[(2S)-2-[(4-bromophenyl)carbamoyl]aziridin-1-yl]-3-methyl-butanoate Openeye Name: methyl (2R)-2-[(2S)-2-[(4-bromophenyl)carbamoyl]aziridin-1-yl]-3-methyl-butanoate CAS Name: (2R)-2-[(2S)-2-[(4-bromoanilino)-oxomethyl]-1-aziridinyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(2S)-2-[(4-bromophenyl)carbamoyl]aziridin-1-yl]-3-methylbutanoate Traditional Name: (2R)-2-[(2S)-2-[(4-bromophenyl)carbamoyl]ethylenimin-1-yl]-3-methyl-butyric acid methyl ester Formula: C15H19BrN2O3 MolecularWeight: 355.22696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N1CC1C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@H](C(=O)OC)N1C[C@H]1C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H19BrN2O3/c1-9(2)13(15(20)21-3)18-8-12(18)14(19)17-11-6-4-10(16)5-7-11/h4-7,9,12-13H,8H2,1-3H3,(H,17,19)/t12-,13+,18?/m0/s1