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

Systemtic Name: methyl 4-[[(1Z)-1-[3-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene]ethyl]amino]benzoate Openeye Name: methyl 4-[[(1Z)-1-[3-(2-methoxy-2-oxo-ethyl)-5-oxo-1-phenyl-pyrazol-4-ylidene]ethyl]amino]benzoate CAS Name: 4-[[(1Z)-1-[3-(2-methoxy-2-oxoethyl)-5-oxo-1-phenyl-4-pyrazolylidene]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1Z)-1-[3-(2-methoxy-2-oxoethyl)-5-oxo-1-phenylpyrazol-4-ylidene]ethyl]amino]benzoate Traditional Name: 4-[[(1Z)-1-[5-keto-3-(2-keto-2-methoxy-ethyl)-1-phenyl-2-pyrazolin-4-ylidene]ethyl]amino]benzoic acid methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)/NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O5/c1-14(23-16-11-9-15(10-12-16)22(28)30-3)20-18(13-19(26)29-2)24-25(21(20)27)17-7-5-4-6-8-17/h4-12,23H,13H2,1-3H3/b20-14-