4-[[3-(3-bromophenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[3-(3-bromophenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[3-(3-bromophenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[3-(3-bromophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[3-(3-bromophenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[3-(3-bromophenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C17H11BrN2O3 MolecularWeight: 371.18484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H11BrN2O3/c18-14-3-1-2-11(9-14)8-13(10-19)16(21)20-15-6-4-12(5-7-15)17(22)23/h1-9H,(H,20,21)(H,22,23)