cyclopenta-1,3-diene; (2-cyclopenta-2,4-dien-1-yl-1-nitro-ethenyl)benzene; iron

Systemtic Name: cyclopenta-1,3-diene; (2-cyclopenta-2,4-dien-1-yl-1-nitro-ethenyl)benzene; iron Openeye Name: cyclopenta-1,3-diene; (2-cyclopenta-2,4-dien-1-yl-1-nitro-vinyl)benzene; iron CAS Name: cyclopenta-1,3-diene; [2-(1-cyclopenta-2,4-dienyl)-1-nitroethenyl]benzene; iron IUPAC Name: cyclopenta-1,3-diene; (2-cyclopenta-2,4-dien-1-yl-1-nitroethenyl)benzene; iron Traditional Name: cyclopenta-1,3-diene; (2-cyclopenta-2,4-dien-1-yl-1-nitro-vinyl)benzene; iron Formula: C18H15FeNO2-2 MolecularWeight: 333.1622

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.C1=CC=C(C=C1)C(=C[C-]2C=CC=C2)[N+](=O)[O-].[Fe]

Isomeric SMILES

[CH-]1C=CC=C1.C1=CC=C(C=C1)C(=C[C-]2C=CC=C2)[N+](=O)[O-].[Fe]

InChI

InChI=1S/C13H10NO2.C5H5.Fe/c15-14(16)13(10-11-6-4-5-7-11)12-8-2-1-3-9-12;1-2-4-5-3-1;/h1-10H;1-5H;/q2*-1;