5-azanyl-2,3-dihydrophthalazine-1,4-dione; 21,22-dihydroporphyrin; iron(2+)

Systemtic Name: 5-azanyl-2,3-dihydrophthalazine-1,4-dione; 21,22-dihydroporphyrin; iron(2+) Openeye Name: ferrous; 5-amino-2,3-dihydrophthalazine-1,4-dione; 21,22-dihydroporphyrin CAS Name: 5-amino-2,3-dihydrophthalazine-1,4-dione; 21,22-dihydroporphyrin; iron(2+) IUPAC Name: 5-amino-2,3-dihydrophthalazine-1,4-dione; 21,22-dihydroporphyrin; iron(2+) Traditional Name: ferrous; 5-amino-2,3-dihydrophthalazine-1,4-quinone; 21,22-dihydroporphine Formula: C28H21FeN7O2+2 MolecularWeight: 543.35704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N)C(=O)NNC2=O.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.[Fe+2]

Isomeric SMILES

C1=CC2=C(C(=C1)N)C(=O)NNC2=O.C1=CC2=CC3=CC=C(N3)C=C4C=CC(=N4)C=C5C=CC(=N5)C=C1N2.[Fe+2]

InChI

InChI=1S/C20H14N4.C8H7N3O2.Fe/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;9-5-3-1-2-4-6(5)8(13)11-10-7(4)12;/h1-12,21-22H;1-3H,9H2,(H,10,12)(H,11,13);/q;;+2