(E)-2-(acetamidomethyl)-3-(3-bromophenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(acetamidomethyl)-3-(3-bromophenyl)prop-2-enoic acid Openeye Name: (E)-2-(acetamidomethyl)-3-(3-bromophenyl)prop-2-enoic acid CAS Name: (E)-2-(acetamidomethyl)-3-(3-bromophenyl)-2-propenoic acid IUPAC Name: (E)-2-(acetamidomethyl)-3-(3-bromophenyl)prop-2-enoic acid Traditional Name: (E)-2-(acetamidomethyl)-3-(3-bromophenyl)acrylic acid Formula: C12H12BrNO3 MolecularWeight: 298.13258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO3/c1-8(15)14-7-10(12(16)17)5-9-3-2-4-11(13)6-9/h2-6H,7H2,1H3,(H,14,15)(H,16,17)/b10-5+