N-(2,4-dimethylphenyl)-3-oxidanyl-naphthalene-2-carboxamide; iron

Systemtic Name: N-(2,4-dimethylphenyl)-3-oxidanyl-naphthalene-2-carboxamide; iron Openeye Name: N-(2,4-dimethylphenyl)-3-hydroxy-naphthalene-2-carboxamide; iron CAS Name: N-(2,4-dimethylphenyl)-3-hydroxy-2-naphthalenecarboxamide; iron IUPAC Name: N-(2,4-dimethylphenyl)-3-hydroxynaphthalene-2-carboxamide; iron Traditional Name: N-(2,4-dimethylphenyl)-3-hydroxy-2-naphthamide; iron Formula: C38H34FeN2O4 MolecularWeight: 638.53256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O)C.CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O)C.[Fe]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O)C.CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O)C.[Fe]

InChI

InChI=1S/2C19H17NO2.Fe/c2*1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21;/h2*3-11,21H,1-2H3,(H,20,22);