iron; (Z)-3-(4-nitrophenyl)-4-oxidanyl-pent-3-en-2-one

Systemtic Name: iron; (Z)-3-(4-nitrophenyl)-4-oxidanyl-pent-3-en-2-one Openeye Name: (Z)-4-hydroxy-3-(4-nitrophenyl)pent-3-en-2-one; iron CAS Name: (Z)-4-hydroxy-3-(4-nitrophenyl)-3-penten-2-one; iron IUPAC Name: (Z)-4-hydroxy-3-(4-nitrophenyl)pent-3-en-2-one; iron Traditional Name: (Z)-4-hydroxy-3-(4-nitrophenyl)pent-3-en-2-one; iron Formula: C33H33FeN3O12 MolecularWeight: 719.47302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C)O.CC(=C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C)O.CC(=C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C)O.[Fe]

Isomeric SMILES

C/C(=C(/C(=O)C)\C1=CC=C(C=C1)[N+](=O)[O-])/O.C/C(=C(/C(=O)C)\C1=CC=C(C=C1)[N+](=O)[O-])/O.C/C(=C(/C(=O)C)\C1=CC=C(C=C1)[N+](=O)[O-])/O.[Fe]

InChI

InChI=1S/3C11H11NO4.Fe/c3*1-7(13)11(8(2)14)9-3-5-10(6-4-9)12(15)16;/h3*3-6,13H,1-2H3;/b3*11-7+;