5-acetyloxy-2-[[4-(prop-2-enoylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 5-acetyloxy-2-[[4-(prop-2-enoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 5-acetoxy-2-[[4-(prop-2-enoylamino)benzoyl]amino]benzoic acid CAS Name: 5-acetyloxy-2-[[oxo-[4-(1-oxoprop-2-enylamino)phenyl]methyl]amino]benzoic acid IUPAC Name: 5-acetyloxy-2-[[4-(prop-2-enoylamino)benzoyl]amino]benzoic acid Traditional Name: 5-acetoxy-2-[(4-acrylamidobenzoyl)amino]benzoic acid Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C=C)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C=C)C(=O)O

InChI

InChI=1S/C19H16N2O6/c1-3-17(23)20-13-6-4-12(5-7-13)18(24)21-16-9-8-14(27-11(2)22)10-15(16)19(25)26/h3-10H,1H2,2H3,(H,20,23)(H,21,24)(H,25,26)