cyclopenta-1,3-diene; ethyl 4-cyclopenta-2,4-dien-1-yl-4-oxidanylidene-2-phenylazanyl-but-2-enoate; iron

Systemtic Name: cyclopenta-1,3-diene; ethyl 4-cyclopenta-2,4-dien-1-yl-4-oxidanylidene-2-phenylazanyl-but-2-enoate; iron Openeye Name: cyclopenta-1,3-diene; ethyl 2-anilino-4-cyclopenta-2,4-dien-1-yl-4-oxo-but-2-enoate; iron CAS Name: 2-anilino-4-(1-cyclopenta-2,4-dienyl)-4-oxo-2-butenoic acid ethyl ester; cyclopenta-1,3-diene; iron IUPAC Name: cyclopenta-1,3-diene; ethyl 2-anilino-4-cyclopenta-2,4-dien-1-yl-4-oxobut-2-enoate; iron Traditional Name: 2-anilino-4-cyclopenta-2,4-dien-1-yl-4-keto-but-2-enoic acid ethyl ester; cyclopenta-1,3-diene; iron Formula: C22H21FeNO3-2 MolecularWeight: 403.25204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(=O)[C-]1C=CC=C1)NC2=CC=CC=C2.[CH-]1C=CC=C1.[Fe]

Isomeric SMILES

CCOC(=O)C(=CC(=O)[C-]1C=CC=C1)NC2=CC=CC=C2.[CH-]1C=CC=C1.[Fe]

InChI

InChI=1S/C17H16NO3.C5H5.Fe/c1-2-21-17(20)15(18-14-10-4-3-5-11-14)12-16(19)13-8-6-7-9-13;1-2-4-5-3-1;/h3-12,18H,2H2,1H3;1-5H;/q2*-1;