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

Systemtic Name: 2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[(E)-3-(2-bromophenyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[(E)-3-(2-bromophenyl)acryloyl]amino]-3-methyl-butyric acid Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C=CC1=CC=CC=C1Br

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)/C=C/C1=CC=CC=C1Br

InChI

InChI=1S/C14H16BrNO3/c1-9(2)13(14(18)19)16-12(17)8-7-10-5-3-4-6-11(10)15/h3-9,13H,1-2H3,(H,16,17)(H,18,19)/b8-7+