2-[(4S)-3-methyl-4-oxidanyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl]-3-oxidanylidene-inden-1-olate

Systemtic Name: 2-[(4S)-3-methyl-4-oxidanyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl]-3-oxidanylidene-inden-1-olate Openeye Name: 2-[(4S)-4-hydroxy-3-methyl-5-oxo-1-phenyl-pyrazol-4-yl]-3-oxo-inden-1-olate CAS Name: 2-[(4S)-4-hydroxy-3-methyl-5-oxo-1-phenyl-4-pyrazolyl]-3-oxo-1-indenolate IUPAC Name: 2-[(4S)-4-hydroxy-3-methyl-5-oxo-1-phenylpyrazol-4-yl]-3-oxoinden-1-olate Traditional Name: 2-[(4S)-4-hydroxy-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]-3-keto-inden-1-olate Formula: C19H13N2O4- MolecularWeight: 333.31752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1(C2=C(C3=CC=CC=C3C2=O)[O-])O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)[C@@]1(C2=C(C3=CC=CC=C3C2=O)[O-])O)C4=CC=CC=C4

InChI

InChI=1S/C19H14N2O4/c1-11-19(25,18(24)21(20-11)12-7-3-2-4-8-12)15-16(22)13-9-5-6-10-14(13)17(15)23/h2-10,22,25H,1H3/p-1/t19-/m1/s1