methyl (2S)-2-[(2-bromophenyl)methylideneamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(2-bromophenyl)methylideneamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(2-bromophenyl)methyleneamino]-3-methyl-butanoate CAS Name: (2S)-2-[(2-bromophenyl)methylideneamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-bromophenyl)methylideneamino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzylidene)amino]-3-methyl-butyric acid methyl ester Formula: C13H16BrNO2 MolecularWeight: 298.17564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N=CC1=CC=CC=C1Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N=CC1=CC=CC=C1Br

InChI

InChI=1S/C13H16BrNO2/c1-9(2)12(13(16)17-3)15-8-10-6-4-5-7-11(10)14/h4-9,12H,1-3H3/t12-/m0/s1