6-bromanyl-2-[4-[4-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[4-[4-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[4-(1,3-diketo-4-methyl-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]cinchoninic acid Formula: C25H19BrN2O4 MolecularWeight: 491.33336

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)O

Isomeric SMILES

CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)O

InChI

InChI=1S/C25H19BrN2O4/c1-13-3-2-4-17-22(13)24(30)28(23(17)29)16-8-5-14(6-9-16)21-12-19(25(31)32)18-11-15(26)7-10-20(18)27-21/h2-3,5-13,17,22H,4H2,1H3,(H,31,32)