bis(chloranyl)zirconium; (6Z)-6-[(cyclopentylamino)methylidene]-2-methyl-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: bis(chloranyl)zirconium; (6Z)-6-[(cyclopentylamino)methylidene]-2-methyl-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[(cyclopentylamino)methylene]-2-methyl-4-nitro-cyclohexa-2,4-dien-1-one; dichlorozirconium CAS Name: (6Z)-6-[(cyclopentylamino)methylidene]-2-methyl-4-nitro-1-cyclohexa-2,4-dienone; dichlorozirconium IUPAC Name: (6Z)-6-[(cyclopentylamino)methylidene]-2-methyl-4-nitrocyclohexa-2,4-dien-1-one; dichlorozirconium Traditional Name: (6Z)-6-[(cyclopentylamino)methylene]-2-methyl-4-nitro-cyclohexa-2,4-dien-1-one; dichlorozirconium Formula: C13H16Cl2N2O3Zr MolecularWeight: 410.40774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=CNC2CCCC2)C1=O)[N+](=O)[O-].Cl[Zr]Cl

Isomeric SMILES

CC1=CC(=C/C(=C/NC2CCCC2)/C1=O)[N+](=O)[O-].Cl[Zr]Cl

InChI

InChI=1S/C13H16N2O3.2ClH.Zr/c1-9-6-12(15(17)18)7-10(13(9)16)8-14-11-4-2-3-5-11;;;/h6-8,11,14H,2-5H2,1H3;2*1H;/q;;;+2/p-2/b10-8-;;;