copper 2-[butylamino-(4-nitrophenyl)methyl]-3,4-bis(oxidanylidene)naphthalen-1-olate

Systemtic Name: copper 2-[butylamino-(4-nitrophenyl)methyl]-3,4-bis(oxidanylidene)naphthalen-1-olate Openeye Name: copper 2-[butylamino-(4-nitrophenyl)methyl]-3,4-dioxo-naphthalen-1-olate CAS Name: copper 2-[butylamino-(4-nitrophenyl)methyl]-3,4-dioxo-1-naphthalenolate IUPAC Name: copper 2-[butylamino-(4-nitrophenyl)methyl]-3,4-dioxonaphthalen-1-olate Traditional Name: cupric 2-[butylamino-(4-nitrophenyl)methyl]-3,4-diketo-naphthalen-1-olate Formula: C42H38CuN4O10 MolecularWeight: 822.31792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3C(=O)C2=O)[O-].CCCCNC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3C(=O)C2=O)[O-].[Cu+2]

Isomeric SMILES

CCCCNC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3C(=O)C2=O)[O-].CCCCNC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3C(=O)C2=O)[O-].[Cu+2]

InChI

InChI=1S/2C21H20N2O5.Cu/c2*1-2-3-12-22-18(13-8-10-14(11-9-13)23(27)28)17-19(24)15-6-4-5-7-16(15)20(25)21(17)26;/h2*4-11,18,22,24H,2-3,12H2,1H3;/q;;+2/p-2