cyclopenta-1,3-diene; diethyl 1-(4-cyclopenta-1,3-dien-1-ylphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; diethyl 1-(4-cyclopenta-1,3-dien-1-ylphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; diethyl 1-(4-cyclopenta-1,3-dien-1-ylphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: cyclopenta-1,3-diene; 1-[4-(1-cyclopenta-1,3-dienyl)phenyl]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester; iron(2+) IUPAC Name: cyclopenta-1,3-diene; diethyl 1-(4-cyclopenta-1,3-dien-1-ylphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 1-(4-cyclopenta-1,3-dien-1-ylphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C35H34FeN2O6 MolecularWeight: 634.49926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)C3=CC=C(C=C3)C4=CC=C[CH-]4)C.[CH-]1C=CC=C1.[Fe+2]

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)C3=CC=C(C=C3)C4=CC=C[CH-]4)C.[CH-]1C=CC=C1.[Fe+2]

InChI

InChI=1S/C30H29N2O6.C5H5.Fe/c1-5-37-29(33)26-19(3)31(24-16-14-22(15-17-24)21-10-7-8-11-21)20(4)27(30(34)38-6-2)28(26)23-12-9-13-25(18-23)32(35)36;1-2-4-5-3-1;/h7-18,28H,5-6H2,1-4H3;1-5H;/q2*-1;+2