3,4-bis[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3,4-bis[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3,4-bis[[(E)-3-(2-furyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3,4-bis[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3,4-bis[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3,4-bis[[(E)-3-(2-furyl)acryloyl]amino]benzoic acid Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=COC(=C1)/C=C/C(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C21H16N2O6/c24-19(9-6-15-3-1-11-28-15)22-17-8-5-14(21(26)27)13-18(17)23-20(25)10-7-16-4-2-12-29-16/h1-13H,(H,22,24)(H,23,25)(H,26,27)/b9-6+,10-7+