2,4-dinitro-6-[(2-phenyl-3H-benzimidazol-5-yl)iminomethyl]phenolate

Systemtic Name: 2,4-dinitro-6-[(2-phenyl-3H-benzimidazol-5-yl)iminomethyl]phenolate Openeye Name: 2,4-dinitro-6-[(2-phenyl-3H-benzimidazol-5-yl)iminomethyl]phenolate CAS Name: 2,4-dinitro-6-[(2-phenyl-3H-benzimidazol-5-yl)iminomethyl]phenolate IUPAC Name: 2,4-dinitro-6-[(2-phenyl-3H-benzimidazol-5-yl)iminomethyl]phenolate Traditional Name: 2,4-dinitro-6-[(2-phenyl-3H-benzimidazol-5-yl)iminomethyl]phenolate Formula: C20H12N5O5- MolecularWeight: 402.33978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O5/c26-19-13(8-15(24(27)28)10-18(19)25(29)30)11-21-14-6-7-16-17(9-14)23-20(22-16)12-4-2-1-3-5-12/h1-11,26H,(H,22,23)/p-1