3-[[2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[2-[3-(2-furyl)prop-2-enoylamino]benzoyl]amino]benzoic acid CAS Name: 3-[[[2-[[3-(2-furanyl)-1-oxoprop-2-enyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-(furan-2-yl)prop-2-enoylamino]benzoyl]amino]benzoic acid Traditional Name: 3-[[2-[[3-(2-furyl)acryloyl]amino]benzoyl]amino]benzoic acid Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C=CC3=CC=CO3

InChI

InChI=1S/C21H16N2O5/c24-19(11-10-16-7-4-12-28-16)23-18-9-2-1-8-17(18)20(25)22-15-6-3-5-14(13-15)21(26)27/h1-13H,(H,22,25)(H,23,24)(H,26,27)