2-[2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]acetyl]amino]acetic acid Formula: C14H15BrN2O4 MolecularWeight: 355.1839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NCC(=O)NCC(=O)O)Br

InChI

InChI=1S/C14H15BrN2O4/c1-9-2-3-10(11(15)6-9)4-5-12(18)16-7-13(19)17-8-14(20)21/h2-6H,7-8H2,1H3,(H,16,18)(H,17,19)(H,20,21)/b5-4+