2-[2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[(E)-3-(3-bromophenyl)acryloyl]amino]acetyl]amino]acetic acid Formula: C13H13BrN2O4 MolecularWeight: 341.15732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=CC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2O4/c14-10-3-1-2-9(6-10)4-5-11(17)15-7-12(18)16-8-13(19)20/h1-6H,7-8H2,(H,15,17)(H,16,18)(H,19,20)/b5-4+