ethyl 4-[4-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoate

Systemtic Name: ethyl 4-[4-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzoate Openeye Name: ethyl 4-[4-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoate CAS Name: 4-[4-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[4-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)C)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CC2=C(NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)C)C=CC1=O

InChI

InChI=1S/C22H22N2O5/c1-4-28-20-13-15(6-11-19(20)25)12-18-14(3)23-24(21(18)26)17-9-7-16(8-10-17)22(27)29-5-2/h6-13,23H,4-5H2,1-3H3