(E)-4-(1-bromanylpyrrolidin-2-yl)-2-methyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(1-bromanylpyrrolidin-2-yl)-2-methyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(1-bromopyrrolidin-2-yl)-2-methyl-4-oxo-but-2-enoic acid CAS Name: (E)-4-(1-bromo-2-pyrrolidinyl)-2-methyl-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(1-bromopyrrolidin-2-yl)-2-methyl-4-oxobut-2-enoic acid Traditional Name: (E)-4-(1-bromopyrrolidin-2-yl)-4-keto-2-methyl-but-2-enoic acid Formula: C9H12BrNO3 MolecularWeight: 262.10048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1CCCN1Br)C(=O)O

Isomeric SMILES

C/C(=C\C(=O)C1CCCN1Br)/C(=O)O

InChI

InChI=1S/C9H12BrNO3/c1-6(9(13)14)5-8(12)7-3-2-4-11(7)10/h5,7H,2-4H2,1H3,(H,13,14)/b6-5+