N-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-4-bromanyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-4-bromanyl-1H-pyrrole-2-carboxamide Openeye Name: 4-bromo-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrrole-2-carboxamide CAS Name: 4-bromo-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrrole-2-carboxamide IUPAC Name: 4-bromo-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrrole-2-carboxamide Traditional Name: 4-bromo-N-(1,4-diketo-2,3-dihydrophthalazin-5-yl)-1H-pyrrole-2-carboxamide Formula: C13H9BrN4O3 MolecularWeight: 349.13956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)C3=CC(=CN3)Br)C(=O)NNC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)C3=CC(=CN3)Br)C(=O)NNC2=O

InChI

InChI=1S/C13H9BrN4O3/c14-6-4-9(15-5-6)12(20)16-8-3-1-2-7-10(8)13(21)18-17-11(7)19/h1-5,15H,(H,16,20)(H,17,19)(H,18,21)