dimethyl 5-[[(1E)-1-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)ethyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(1E)-1-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)ethyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(1E)-1-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)ethyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(1E)-1-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(1E)-1-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)ethyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(1E)-1-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-13(19-14(2)24-25(20(19)26)18-8-6-5-7-9-18)23-17-11-15(21(27)29-3)10-16(12-17)22(28)30-4/h5-12,23H,1-4H3/b19-13+