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

Systemtic Name: ethyl 3-[[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methylideneamino]benzoate Openeye Name: ethyl 3-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyleneamino]benzoate CAS Name: 3-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylideneamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methylideneamino]benzoate Traditional Name: 3-[[(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]methyleneamino]benzoic acid ethyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N=CC2C(=NN(C2=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N=C[C@H]2C(=NN(C2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H19N3O3/c1-3-26-20(25)15-8-7-9-16(12-15)21-13-18-14(2)22-23(19(18)24)17-10-5-4-6-11-17/h4-13,18H,3H2,1-2H3/t18-/m0/s1