(2R)-4-(4-bromophenyl)-2-(cyclopropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-2-(cyclopropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-bromophenyl)-2-(cyclopropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-bromophenyl)-2-(cyclopropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-bromophenyl)-2-(cyclopropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-bromophenyl)-2-(cyclopropylammonio)-4-keto-butyrate Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH2+]C(CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1CC1[NH2+][C@H](CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C13H14BrNO3/c14-9-3-1-8(2-4-9)12(16)7-11(13(17)18)15-10-5-6-10/h1-4,10-11,15H,5-7H2,(H,17,18)/t11-/m1/s1