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

Systemtic Name: methyl 4-[[(E)-(5-oxidanylidene-3-phenyl-1H-pyrazol-4-ylidene)methyl]amino]benzoate Openeye Name: methyl 4-[[(E)-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methyl]amino]benzoate CAS Name: 4-[[(E)-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methyl]amino]benzoate Traditional Name: 4-[[(E)-(3-keto-5-phenyl-2-pyrazolin-4-ylidene)methyl]amino]benzoic acid methyl ester Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC=C2C(=NNC2=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N/C=C/2\C(=NNC2=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3/c1-24-18(23)13-7-9-14(10-8-13)19-11-15-16(20-21-17(15)22)12-5-3-2-4-6-12/h2-11,19H,1H3,(H,21,22)/b15-11+