2-azaniumylethylazanium; 4,5-bis(oxidanylidene)-1-phenyl-3-(phenylcarbonyl)pyrrol-2-olate

Systemtic Name: 2-azaniumylethylazanium; 4,5-bis(oxidanylidene)-1-phenyl-3-(phenylcarbonyl)pyrrol-2-olate Openeye Name: 2-azaniumylethylammonium; 3-benzoyl-4,5-dioxo-1-phenyl-pyrrol-2-olate CAS Name: 2-ammonioethylammonium; 3-benzoyl-4,5-dioxo-1-phenyl-2-pyrrololate IUPAC Name: 2-azaniumylethylazanium; 3-benzoyl-4,5-dioxo-1-phenylpyrrol-2-olate Traditional Name: 2-ammonioethylammonium; 3-benzoyl-4,5-diketo-1-phenyl-2-pyrrolin-2-olate Formula: C36H30N4O8 MolecularWeight: 646.6454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(N(C(=O)C2=O)C3=CC=CC=C3)[O-].C1=CC=C(C=C1)C(=O)C2=C(N(C(=O)C2=O)C3=CC=CC=C3)[O-].C(C[NH3+])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(N(C(=O)C2=O)C3=CC=CC=C3)[O-].C1=CC=C(C=C1)C(=O)C2=C(N(C(=O)C2=O)C3=CC=CC=C3)[O-].C(C[NH3+])[NH3+]

InChI

InChI=1S/2C17H11NO4.C2H8N2/c2*19-14(11-7-3-1-4-8-11)13-15(20)17(22)18(16(13)21)12-9-5-2-6-10-12;3-1-2-4/h2*1-10,21H;1-4H2