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

Systemtic Name: 4-[[(Z)-2-[(3-bromophenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(Z)-2-[(3-bromobenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(Z)-2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(Z)-2-[(3-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(Z)-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=C(C=C2)C(=O)O)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

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