ethyl 4-[4-[(E)-(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-oxidanylidene-5-propyl-1H-pyrazol-2-yl]benzoate

Systemtic Name: ethyl 4-[4-[(E)-(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-oxidanylidene-5-propyl-1H-pyrazol-2-yl]benzoate Openeye Name: ethyl 4-[4-[(E)-(3-bromo-5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoate CAS Name: 4-[4-[(E)-(3-bromo-5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoate Traditional Name: 4-[4-[(E)-(3-bromo-6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]-5-keto-3-propyl-3-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C23H23BrN2O5 MolecularWeight: 487.34312

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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=C(C3=O)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN2O5/c1-4-6-19-18(12-15-11-16(24)13-20(30-3)21(15)27)22(28)26(25-19)17-9-7-14(8-10-17)23(29)31-5-2/h7-13,25H,4-6H2,1-3H3/b15-12+