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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=CC=C1)Br)C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

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

InChI

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