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

Systemtic Name: 2-[4-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[(2E)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[(2E)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[(2E)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[(N'E)-N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]phenyl]cinchoninic acid Formula: C26H19N5O3 MolecularWeight: 449.46076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C26H19N5O3/c1-16-24(25(32)31(30-16)19-7-3-2-4-8-19)29-28-18-13-11-17(12-14-18)23-15-21(26(33)34)20-9-5-6-10-22(20)27-23/h2-15,28H,1H3,(H,33,34)/b29-24+