5-[[(E)-(3-methyl-5-oxidanylidene-1H-pyrazol-4-ylidene)methyl]amino]-2-oxidanyl-benzoate

Systemtic Name: 5-[[(E)-(3-methyl-5-oxidanylidene-1H-pyrazol-4-ylidene)methyl]amino]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-5-[[(E)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]amino]benzoate CAS Name: 2-hydroxy-5-[[(E)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]amino]benzoate IUPAC Name: 2-hydroxy-5-[[(E)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]amino]benzoate Traditional Name: 2-hydroxy-5-[[(E)-(3-keto-5-methyl-2-pyrazolin-4-ylidene)methyl]amino]benzoate Formula: C12H10N3O4- MolecularWeight: 260.2255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1=CNC2=CC(=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

CC\1=NNC(=O)/C1=C/NC2=CC(=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-6-9(11(17)15-14-6)5-13-7-2-3-10(16)8(4-7)12(18)19/h2-5,13,16H,1H3,(H,15,17)(H,18,19)/p-1/b9-5+