ethanedioate; iron(2+); 3-(phenylazanylmethyl)-1,3-benzoxazol-2-one

Systemtic Name: ethanedioate; iron(2+); 3-(phenylazanylmethyl)-1,3-benzoxazol-2-one Openeye Name: ferrous; 3-(anilinomethyl)-1,3-benzoxazol-2-one; oxalate CAS Name: 3-(anilinomethyl)-1,3-benzoxazol-2-one; iron(2+); oxalate IUPAC Name: 3-(anilinomethyl)-1,3-benzoxazol-2-one; iron(2+); oxalate Traditional Name: ferrous; 3-(anilinomethyl)-1,3-benzoxazol-2-one; oxalate Formula: C30H24FeN4O8 MolecularWeight: 624.37856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCN2C3=CC=CC=C3OC2=O.C1=CC=C(C=C1)NCN2C3=CC=CC=C3OC2=O.C(=O)(C(=O)[O-])[O-].[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)NCN2C3=CC=CC=C3OC2=O.C1=CC=C(C=C1)NCN2C3=CC=CC=C3OC2=O.C(=O)(C(=O)[O-])[O-].[Fe+2]

InChI

InChI=1S/2C14H12N2O2.C2H2O4.Fe/c2*17-14-16(10-15-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14;3-1(4)2(5)6;/h2*1-9,15H,10H2;(H,3,4)(H,5,6);/q;;;+2/p-2