3-[[(E)-2-[(3-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[(E)-2-[(3-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-2-[(3-bromobenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-2-[(3-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-2-[(3-bromobenzoyl)amino]-3-phenyl-acryloyl]amino]benzoic acid Formula: C23H17BrN2O4 MolecularWeight: 465.29608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)/C=C(\C(=O)NC2=CC=CC(=C2)C(=O)O)/NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C23H17BrN2O4/c24-18-10-4-8-16(13-18)21(27)26-20(12-15-6-2-1-3-7-15)22(28)25-19-11-5-9-17(14-19)23(29)30/h1-14H,(H,25,28)(H,26,27)(H,29,30)/b20-12+