6-bromanyl-2-[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[4-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]cinchoninic acid Formula: C22H14BrN3O3 MolecularWeight: 448.26886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O

Isomeric SMILES

C1=CC(=O)C=CC1=NNC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O

InChI

InChI=1S/C22H14BrN3O3/c23-14-3-10-20-18(11-14)19(22(28)29)12-21(24-20)13-1-4-15(5-2-13)25-26-16-6-8-17(27)9-7-16/h1-12,25H,(H,28,29)