3-[1,4-bis(oxidanylidene)phthalazin-2-ium-2-yl]-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)phthalazin-2-ium-2-yl]-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide Openeye Name: 3-(1,4-dioxophthalazin-2-ium-2-yl)-N-[(Z)-4-pyridylmethyleneamino]propanamide CAS Name: 3-(1,4-dioxo-2-phthalazin-2-iumyl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide IUPAC Name: 3-(1,4-dioxophthalazin-2-ium-2-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide Traditional Name: 3-(1,4-diketophthalazin-2-ium-2-yl)-N-[(Z)-4-pyridylmethyleneamino]propionamide Formula: C17H14N5O3+ MolecularWeight: 336.32476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=[N+](C2=O)CCC(=O)NN=CC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=[N+](C2=O)CCC(=O)N/N=C\C3=CC=NC=C3

InChI

InChI=1S/C17H13N5O3/c23-15(20-19-11-12-5-8-18-9-6-12)7-10-22-17(25)14-4-2-1-3-13(14)16(24)21-22/h1-6,8-9,11H,7,10H2/p+1