cyclopenta-1,3-diene; 2-(cyclopenta-2,4-dien-1-ylmethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione; iron

Systemtic Name: cyclopenta-1,3-diene; 2-(cyclopenta-2,4-dien-1-ylmethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione; iron Openeye Name: cyclopenta-1,3-diene; 2-(cyclopenta-2,4-dien-1-ylmethyl)-5-nitro-benzo[de]isoquinoline-1,3-dione; iron CAS Name: cyclopenta-1,3-diene; 2-(1-cyclopenta-2,4-dienylmethyl)-5-nitrobenzo[de]isoquinoline-1,3-dione; iron IUPAC Name: cyclopenta-1,3-diene; 2-(cyclopenta-2,4-dien-1-ylmethyl)-5-nitrobenzo[de]isoquinoline-1,3-dione; iron Traditional Name: cyclopenta-1,3-diene; 2-(cyclopenta-2,4-dien-1-ylmethyl)-5-nitro-benzo[de]isoquinoline-1,3-quinone; iron Formula: C23H16FeN2O4-2 MolecularWeight: 440.22914

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.C1=C[C-](C=C1)CN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-].[Fe]

Isomeric SMILES

[CH-]1C=CC=C1.C1=C[C-](C=C1)CN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-].[Fe]

InChI

InChI=1S/C18H11N2O4.C5H5.Fe/c21-17-14-7-3-6-12-8-13(20(23)24)9-15(16(12)14)18(22)19(17)10-11-4-1-2-5-11;1-2-4-5-3-1;/h1-9H,10H2;1-5H;/q2*-1;