ethyl 2,3-bis(3-nitrophenyl)benzo[a]quinolizin-5-ium-4-carboxylate

Systemtic Name: ethyl 2,3-bis(3-nitrophenyl)benzo[a]quinolizin-5-ium-4-carboxylate Openeye Name: ethyl 2,3-bis(3-nitrophenyl)benzo[a]quinolizin-5-ium-4-carboxylate CAS Name: 2,3-bis(3-nitrophenyl)-4-benzo[a]quinolizin-5-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2,3-bis(3-nitrophenyl)benzo[a]quinolizin-5-ium-4-carboxylate Traditional Name: 2,3-bis(3-nitrophenyl)benzo[a]quinolizin-5-ium-4-carboxylic acid ethyl ester Formula: C28H20N3O6+ MolecularWeight: 494.4749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC2=[N+]1C=CC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=CC2=[N+]1C=CC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H20N3O6/c1-2-37-28(32)27-26(20-9-6-11-22(16-20)31(35)36)24(19-8-5-10-21(15-19)30(33)34)17-25-23-12-4-3-7-18(23)13-14-29(25)27/h3-17H,2H2,1H3/q+1