4-[3,3-bis(4-bromophenyl)prop-2-enoylamino]benzoic acid

Systemtic Name: 4-[3,3-bis(4-bromophenyl)prop-2-enoylamino]benzoic acid Openeye Name: 4-[3,3-bis(4-bromophenyl)prop-2-enoylamino]benzoic acid CAS Name: 4-[[3,3-bis(4-bromophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[3,3-bis(4-bromophenyl)prop-2-enoylamino]benzoic acid Traditional Name: 4-[[3,3-bis(4-bromophenyl)acryloyl]amino]benzoic acid Formula: C22H15Br2NO3 MolecularWeight: 501.1674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)C=C(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)C=C(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H15Br2NO3/c23-17-7-1-14(2-8-17)20(15-3-9-18(24)10-4-15)13-21(26)25-19-11-5-16(6-12-19)22(27)28/h1-13H,(H,25,26)(H,27,28)