cyclopenta-1,3-diene; 5-cyclopenta-2,4-dien-1-ylidene-1-methyl-3H-1,4-benzodiazepin-4-id-2-one; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 5-cyclopenta-2,4-dien-1-ylidene-1-methyl-3H-1,4-benzodiazepin-4-id-2-one; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 5-cyclopenta-2,4-dien-1-ylidene-1-methyl-3H-1,4-benzodiazepin-4-id-2-one CAS Name: cyclopenta-1,3-diene; 5-(1-cyclopenta-2,4-dienylidene)-1-methyl-3H-1,4-benzodiazepin-4-id-2-one; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 5-cyclopenta-2,4-dien-1-ylidene-1-methyl-3H-1,4-benzodiazepin-4-id-2-one; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 5-cyclopenta-2,4-dien-1-ylidene-1-methyl-3H-1,4-benzodiazepin-4-id-2-one Formula: C20H18FeN2O MolecularWeight: 358.21472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C[N-]C(=C2C=CC=C2)C3=CC=CC=C31.[CH-]1C=CC=C1.[Fe+2]

Isomeric SMILES

CN1C(=O)C[N-]C(=C2C=CC=C2)C3=CC=CC=C31.[CH-]1C=CC=C1.[Fe+2]

InChI

InChI=1S/C15H13N2O.C5H5.Fe/c1-17-13-9-5-4-8-12(13)15(16-10-14(17)18)11-6-2-3-7-11;1-2-4-5-3-1;/h2-9H,10H2,1H3;1-5H;/q2*-1;+2