ethyl 4-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxidanylidene-2-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxidanylidene-2-phenyl-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxylate CAS Name: 4-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 5-keto-4-[(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-1-phenyl-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=C(C(=O)C(=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=C(C(=O)C(=C3)OC)OC

InChI

InChI=1S/C21H20N2O6/c1-4-29-21(26)18-15(20(25)23(22-18)14-8-6-5-7-9-14)10-13-11-16(27-2)19(24)17(12-13)28-3/h5-12,22H,4H2,1-3H3