2-[[(E)-3-(2-bromophenyl)-2-methyl-prop-2-enoyl]amino]-4-chloranyl-benzoic acid

Systemtic Name: 2-[[(E)-3-(2-bromophenyl)-2-methyl-prop-2-enoyl]amino]-4-chloranyl-benzoic acid Openeye Name: 2-[[(E)-3-(2-bromophenyl)-2-methyl-prop-2-enoyl]amino]-4-chloro-benzoic acid CAS Name: 2-[[(E)-3-(2-bromophenyl)-2-methyl-1-oxoprop-2-enyl]amino]-4-chlorobenzoic acid IUPAC Name: 2-[[(E)-3-(2-bromophenyl)-2-methylprop-2-enoyl]amino]-4-chlorobenzoic acid Traditional Name: 2-[[(E)-3-(2-bromophenyl)-2-methyl-acryloyl]amino]-4-chloro-benzoic acid Formula: C17H13BrClNO3 MolecularWeight: 394.64702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1Br)C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

C/C(=C\C1=CC=CC=C1Br)/C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C17H13BrClNO3/c1-10(8-11-4-2-3-5-14(11)18)16(21)20-15-9-12(19)6-7-13(15)17(22)23/h2-9H,1H3,(H,20,21)(H,22,23)/b10-8+