methyl (Z)-3-[[(4E)-5-oxidanylidene-1-phenyl-4-(phenylazanylmethylidene)pyrazol-3-yl]amino]but-2-enoate

Systemtic Name: methyl (Z)-3-[[(4E)-5-oxidanylidene-1-phenyl-4-(phenylazanylmethylidene)pyrazol-3-yl]amino]but-2-enoate Openeye Name: methyl (Z)-3-[[(4E)-4-(anilinomethylene)-5-oxo-1-phenyl-pyrazol-3-yl]amino]but-2-enoate CAS Name: (Z)-3-[[(4E)-4-(anilinomethylidene)-5-oxo-1-phenyl-3-pyrazolyl]amino]-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-[[(4E)-4-(anilinomethylidene)-5-oxo-1-phenylpyrazol-3-yl]amino]but-2-enoate Traditional Name: (Z)-3-[[(4E)-4-(anilinomethylene)-5-keto-1-phenyl-2-pyrazolin-3-yl]amino]but-2-enoic acid methyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)NC1=NN(C(=O)C1=CNC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C/C(=C/C(=O)OC)/NC\1=NN(C(=O)/C1=C/NC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3/c1-15(13-19(26)28-2)23-20-18(14-22-16-9-5-3-6-10-16)21(27)25(24-20)17-11-7-4-8-12-17/h3-14,22H,1-2H3,(H,23,24)/b15-13-,18-14+