(E)-3-[4-[6-methoxycarbonyl-3-[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]quinoxalin-2-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[6-methoxycarbonyl-3-[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]quinoxalin-2-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[3-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]-6-methoxycarbonyl-quinoxalin-2-yl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[3-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-6-methoxycarbonyl-2-quinoxalinyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[3-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-6-methoxycarbonylquinoxalin-2-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[6-carbomethoxy-3-[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]quinoxalin-2-yl]phenyl]acrylic acid Formula: C28H20N2O6 MolecularWeight: 480.4682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=C(C=C3)C=CC(=O)O)C4=CC=C(C=C4)C=CC(=O)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=C(C=C3)/C=C/C(=O)O)C4=CC=C(C=C4)/C=C/C(=O)O

InChI

InChI=1S/C28H20N2O6/c1-36-28(35)21-12-13-22-23(16-21)30-27(20-10-4-18(5-11-20)7-15-25(33)34)26(29-22)19-8-2-17(3-9-19)6-14-24(31)32/h2-16H,1H3,(H,31,32)(H,33,34)/b14-6+,15-7+