6-bromanyl-2-[4-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[4-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]phenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[4-[(2E)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]phenyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[4-[(2E)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[4-[(2E)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]phenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[4-[(N'E)-N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]phenyl]cinchoninic acid Formula: C26H18BrN5O3 MolecularWeight: 528.35682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C26H18BrN5O3/c1-15-24(25(33)32(31-15)19-5-3-2-4-6-19)30-29-18-10-7-16(8-11-18)23-14-21(26(34)35)20-13-17(27)9-12-22(20)28-23/h2-14,29H,1H3,(H,34,35)/b30-24+