cyclopentane; ethyl 2-cyano-5-cyclopentyl-1,3-dihydroindene-2-carboxylate; iron(2+)

Systemtic Name: cyclopentane; ethyl 2-cyano-5-cyclopentyl-1,3-dihydroindene-2-carboxylate; iron(2+) Openeye Name: ferrous; cyclopentane; ethyl 2-cyano-5-cyclopentyl-indane-2-carboxylate CAS Name: 2-cyano-5-cyclopentyl-1,3-dihydroindene-2-carboxylic acid ethyl ester; cyclopentane; iron(2+) IUPAC Name: cyclopentane; ethyl 2-cyano-5-cyclopentyl-1,3-dihydroindene-2-carboxylate; iron(2+) Traditional Name: ferrous; 2-cyano-5-cyclopentyl-indane-2-carboxylic acid ethyl ester; cyclopentane Formula: C23H21FeNO2+2 MolecularWeight: 399.26334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=C(C1)C=C(C=C2)[C]3[CH][CH][CH][CH]3)C#N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCOC(=O)C1(CC2=C(C1)C=C(C=C2)[C]3[CH][CH][CH][CH]3)C#N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C18H16NO2.C5H5.Fe/c1-2-21-17(20)18(12-19)10-15-8-7-14(9-16(15)11-18)13-5-3-4-6-13;1-2-4-5-3-1;/h3-9H,2,10-11H2,1H3;1-5H;/q;;+2