2-[3-bromanyl-4-[4,9-diethoxy-1,3-bis(oxidanylidene)benzo[f]isoindol-2-yl]phenyl]ethanoic acid

Systemtic Name: 2-[3-bromanyl-4-[4,9-diethoxy-1,3-bis(oxidanylidene)benzo[f]isoindol-2-yl]phenyl]ethanoic acid Openeye Name: 2-[3-bromo-4-(4,9-diethoxy-1,3-dioxo-benzo[f]isoindol-2-yl)phenyl]acetic acid CAS Name: 2-[3-bromo-4-(4,9-diethoxy-1,3-dioxo-2-benzo[f]isoindolyl)phenyl]acetic acid IUPAC Name: 2-[3-bromo-4-(4,9-diethoxy-1,3-dioxobenzo[f]isoindol-2-yl)phenyl]acetic acid Traditional Name: 2-[3-bromo-4-(4,9-diethoxy-1,3-diketo-benz[f]isoindol-2-yl)phenyl]acetic acid Formula: C24H20BrNO6 MolecularWeight: 498.3227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C3=CC=CC=C31)OCC)C(=O)N(C2=O)C4=C(C=C(C=C4)CC(=O)O)Br

Isomeric SMILES

CCOC1=C2C(=C(C3=CC=CC=C31)OCC)C(=O)N(C2=O)C4=C(C=C(C=C4)CC(=O)O)Br

InChI

InChI=1S/C24H20BrNO6/c1-3-31-21-14-7-5-6-8-15(14)22(32-4-2)20-19(21)23(29)26(24(20)30)17-10-9-13(11-16(17)25)12-18(27)28/h5-11H,3-4,12H2,1-2H3,(H,27,28)