copper; hydron; 2-[[3-[(4-methoxyphenyl)carbamoyl]-2-oxidanidyl-naphthalen-1-yl]diazenyl]-4-nitro-benzoate

Systemtic Name: copper; hydron; 2-[[3-[(4-methoxyphenyl)carbamoyl]-2-oxidanidyl-naphthalen-1-yl]diazenyl]-4-nitro-benzoate Openeye Name: copper; hydron; 2-[[3-[(4-methoxyphenyl)carbamoyl]-2-oxido-1-naphthyl]azo]-4-nitro-benzoate CAS Name: copper; hydron; 2-[[3-[(4-methoxyanilino)-oxomethyl]-2-oxido-1-naphthalenyl]azo]-4-nitrobenzoate IUPAC Name: copper; hydron; 2-[[3-[(4-methoxyphenyl)carbamoyl]-2-oxidonaphthalen-1-yl]diazenyl]-4-nitrobenzoate Traditional Name: cupric; hydron; 2-[[3-[(4-methoxyphenyl)carbamoyl]-2-oxido-1-naphthyl]azo]-4-nitro-benzoate Formula: C50H34CuN8O14 MolecularWeight: 1034.39616

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2[O-])N=NC4=C(C=CC(=C4)[N+](=O)[O-])C(=O)[O-].COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2[O-])N=NC4=C(C=CC(=C4)[N+](=O)[O-])C(=O)[O-].[Cu+2]

Isomeric SMILES

[H+].[H+].COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2[O-])N=NC4=C(C=CC(=C4)[N+](=O)[O-])C(=O)[O-].COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2[O-])N=NC4=C(C=CC(=C4)[N+](=O)[O-])C(=O)[O-].[Cu+2]

InChI

InChI=1S/2C25H18N4O7.Cu/c2*1-36-17-9-6-15(7-10-17)26-24(31)20-12-14-4-2-3-5-18(14)22(23(20)30)28-27-21-13-16(29(34)35)8-11-19(21)25(32)33;/h2*2-13,30H,1H3,(H,26,31)(H,32,33);/q;;+2/p-2