nickel; (6Z)-6-[(3-oxidanylpropylamino)methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: nickel; (6Z)-6-[(3-oxidanylpropylamino)methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[(3-hydroxypropylamino)methylene]cyclohexa-2,4-dien-1-one; nickel CAS Name: (6Z)-6-[(3-hydroxypropylamino)methylidene]-1-cyclohexa-2,4-dienone; nickel IUPAC Name: (6Z)-6-[(3-hydroxypropylamino)methylidene]cyclohexa-2,4-dien-1-one; nickel Traditional Name: (6Z)-6-[(3-hydroxypropylamino)methylene]cyclohexa-2,4-dien-1-one; nickel Formula: C20H26N2NiO4 MolecularWeight: 417.12484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNCCCO)C(=O)C=C1.C1=CC(=CNCCCO)C(=O)C=C1.[Ni]

Isomeric SMILES

C1=C/C(=C/NCCCO)/C(=O)C=C1.C1=C/C(=C/NCCCO)/C(=O)C=C1.[Ni]

InChI

InChI=1S/2C10H13NO2.Ni/c2*12-7-3-6-11-8-9-4-1-2-5-10(9)13;/h2*1-2,4-5,8,11-12H,3,6-7H2;/b2*9-8-;