2-[(2Z)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]terephthalic acid

Systemtic Name: 2-[(2Z)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]terephthalic acid Openeye Name: 2-[(2Z)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]terephthalic acid CAS Name: 2-[(2Z)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]terephthalic acid IUPAC Name: 2-[(2Z)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]terephthalic acid Traditional Name: 2-[(N'Z)-N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]terephthalic acid Formula: C18H14N4O5 MolecularWeight: 366.32756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O5/c1-10-15(16(23)22(21-10)12-5-3-2-4-6-12)20-19-14-9-11(17(24)25)7-8-13(14)18(26)27/h2-9,19H,1H3,(H,24,25)(H,26,27)/b20-15-