N-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-5-oxidanylidene-1,4-dihydropyrazole-4-carboxamide

Systemtic Name: N-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-5-oxidanylidene-1,4-dihydropyrazole-4-carboxamide Openeye Name: N-[(E)-(5-bromo-2-methoxy-phenyl)methyleneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide CAS Name: N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide IUPAC Name: N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide Traditional Name: N-[(E)-(5-bromo-2-methoxy-benzylidene)amino]-3-keto-2-pyrazoline-4-carboxamide Formula: C12H11BrN4O3 MolecularWeight: 339.14474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=NNC(=O)C2C=NNC2=O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=N/NC(=O)C2C=NNC2=O

InChI

InChI=1S/C12H11BrN4O3/c1-20-10-3-2-8(13)4-7(10)5-14-16-11(18)9-6-15-17-12(9)19/h2-6,9H,1H3,(H,16,18)(H,17,19)/b14-5+