methyl 2-[[(1Z)-1-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)ethyl]amino]benzoate

Systemtic Name: methyl 2-[[(1Z)-1-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)ethyl]amino]benzoate Openeye Name: methyl 2-[[(1Z)-1-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)ethyl]amino]benzoate CAS Name: 2-[[(1Z)-1-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(1Z)-1-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)ethyl]amino]benzoate Traditional Name: 2-[[(1Z)-1-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)ethyl]amino]benzoic acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NC2=CC=CC=C2C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C(/C)\NC2=CC=CC=C2C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3/c1-4-10-19-20(21(26)25(24-19)16-11-6-5-7-12-16)15(2)23-18-14-9-8-13-17(18)22(27)28-3/h5-9,11-14,23H,4,10H2,1-3H3/b20-15-