2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[(E)-3-(3-bromophenyl)acryloyl]amino]-3-hydroxy-butyric acid Formula: C13H14BrNO4 MolecularWeight: 328.15856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C=CC1=CC(=CC=C1)Br)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)/C=C/C1=CC(=CC=C1)Br)O

InChI

InChI=1S/C13H14BrNO4/c1-8(16)12(13(18)19)15-11(17)6-5-9-3-2-4-10(14)7-9/h2-8,12,16H,1H3,(H,15,17)(H,18,19)/b6-5+