4-[[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylamino]benzoate

Systemtic Name: 4-[[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylamino]benzoate Openeye Name: 4-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylamino]benzoate CAS Name: 4-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylamino]benzoate IUPAC Name: 4-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylamino]benzoate Traditional Name: 4-[[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]methylamino]benzoate Formula: C18H16N3O3- MolecularWeight: 322.33794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CNC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)[C@H]1CNC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3/c1-12-16(11-19-14-9-7-13(8-10-14)18(23)24)17(22)21(20-12)15-5-3-2-4-6-15/h2-10,16,19H,11H2,1H3,(H,23,24)/p-1/t16-/m0/s1