5-ethyl-3,8-dinitro-6-phenyl-phenanthridin-5-ium

Systemtic Name: 5-ethyl-3,8-dinitro-6-phenyl-phenanthridin-5-ium Openeye Name: 5-ethyl-3,8-dinitro-6-phenyl-phenanthridin-5-ium CAS Name: 5-ethyl-3,8-dinitro-6-phenylphenanthridin-5-ium IUPAC Name: 5-ethyl-3,8-dinitro-6-phenylphenanthridin-5-ium Traditional Name: 5-ethyl-3,8-dinitro-6-phenyl-phenanthridin-5-ium Formula: C21H16N3O4+ MolecularWeight: 374.36944

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N3O4/c1-2-22-20-13-16(24(27)28)9-11-18(20)17-10-8-15(23(25)26)12-19(17)21(22)14-6-4-3-5-7-14/h3-13H,2H2,1H3/q+1