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

Systemtic Name: ethyl 4-[4-[(E)-(3-bromanyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxidanylidene-5-propyl-1H-pyrazol-2-yl]benzoate Openeye Name: ethyl 4-[4-[(E)-(3-bromo-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoate CAS Name: 4-[4-[(E)-(3-bromo-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-(3-bromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[4-[(E)-(3-bromo-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-propyl-3-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C24H25BrN2O5 MolecularWeight: 501.3697

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)OCC)C=C3C=C(C(=O)C(=C3)Br)OCC

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)OCC)/C=C/3\C=C(C(=O)C(=C3)Br)OCC

InChI

InChI=1S/C24H25BrN2O5/c1-4-7-20-18(12-15-13-19(25)22(28)21(14-15)31-5-2)23(29)27(26-20)17-10-8-16(9-11-17)24(30)32-6-3/h8-14,26H,4-7H2,1-3H3/b15-12-