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

Systemtic Name: 3-[4-[(E)-(3-bromanyl-2-chloranyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]propanenitrile Openeye Name: 3-[4-[(E)-(3-bromo-2-chloro-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile CAS Name: 3-[4-[(E)-(3-bromo-2-chloro-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 3-[4-[(E)-(3-bromo-2-chloro-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile Traditional Name: 3-[4-[(E)-(3-bromo-2-chloro-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]propionitrile Formula: C16H15BrClN3O3 MolecularWeight: 412.6656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C(NN(C2=O)CCC#N)C)C(=C(C1=O)Br)Cl

Isomeric SMILES

CCOC1=C/C(=C\C2=C(NN(C2=O)CCC#N)C)/C(=C(C1=O)Br)Cl

InChI

InChI=1S/C16H15BrClN3O3/c1-3-24-12-8-10(14(18)13(17)15(12)22)7-11-9(2)20-21(16(11)23)6-4-5-19/h7-8,20H,3-4,6H2,1-2H3/b10-7+