N-[(E)-1-(3-bromophenyl)ethylideneamino]-5-oxidanylidene-1,4-dihydropyrazole-4-carboxamide

Systemtic Name: N-[(E)-1-(3-bromophenyl)ethylideneamino]-5-oxidanylidene-1,4-dihydropyrazole-4-carboxamide Openeye Name: N-[(E)-1-(3-bromophenyl)ethylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide CAS Name: N-[(E)-1-(3-bromophenyl)ethylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide IUPAC Name: N-[(E)-1-(3-bromophenyl)ethylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide Traditional Name: N-[(E)-1-(3-bromophenyl)ethylideneamino]-3-keto-2-pyrazoline-4-carboxamide Formula: C12H11BrN4O2 MolecularWeight: 323.14534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1C=NNC1=O)C2=CC(=CC=C2)Br

Isomeric SMILES

C/C(=N\NC(=O)C1C=NNC1=O)/C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H11BrN4O2/c1-7(8-3-2-4-9(13)5-8)15-17-12(19)10-6-14-16-11(10)18/h2-6,10H,1H3,(H,16,18)(H,17,19)/b15-7+