N-(2-butoxyphenyl)-1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxamide

Systemtic Name: N-(2-butoxyphenyl)-1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxamide Openeye Name: N-(2-butoxyphenyl)-1-nitro-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-(2-butoxyphenyl)-1-nitro-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-(2-butoxyphenyl)-1-nitro-9,10-dioxoanthracene-2-carboxamide Traditional Name: N-(2-butoxyphenyl)-9,10-diketo-1-nitro-anthracene-2-carboxamide Formula: C25H20N2O6 MolecularWeight: 444.4361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1NC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC=C1NC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C25H20N2O6/c1-2-3-14-33-20-11-7-6-10-19(20)26-25(30)18-13-12-17-21(22(18)27(31)32)24(29)16-9-5-4-8-15(16)23(17)28/h4-13H,2-3,14H2,1H3,(H,26,30)