3-chloranyl-4-methoxy-5-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-chloranyl-4-methoxy-5-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-chloro-4-methoxy-5-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-chloro-4-methoxy-5-[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 3-chloro-4-methoxy-5-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-chloro-4-methoxy-5-[[(E)-3-(5-phenyl-2-furyl)acryloyl]amino]benzoic acid Formula: C21H16ClNO5 MolecularWeight: 397.80844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)C=CC2=CC=C(O2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C21H16ClNO5/c1-27-20-16(22)11-14(21(25)26)12-17(20)23-19(24)10-8-15-7-9-18(28-15)13-5-3-2-4-6-13/h2-12H,1H3,(H,23,24)(H,25,26)/b10-8+