N-[4-chloranyl-9,10-bis(oxidanylidene)anthracen-1-yl]-4-hexoxy-3-nitro-benzamide

Systemtic Name: N-[4-chloranyl-9,10-bis(oxidanylidene)anthracen-1-yl]-4-hexoxy-3-nitro-benzamide Openeye Name: N-(4-chloro-9,10-dioxo-1-anthryl)-4-hexoxy-3-nitro-benzamide CAS Name: N-(4-chloro-9,10-dioxo-1-anthracenyl)-4-hexoxy-3-nitrobenzamide IUPAC Name: N-(4-chloro-9,10-dioxoanthracen-1-yl)-4-hexoxy-3-nitrobenzamide Traditional Name: N-(4-chloro-9,10-diketo-1-anthryl)-4-hexoxy-3-nitro-benzamide Formula: C27H23ClN2O6 MolecularWeight: 506.93432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC2=C3C(=C(C=C2)Cl)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC2=C3C(=C(C=C2)Cl)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C27H23ClN2O6/c1-2-3-4-7-14-36-22-13-10-16(15-21(22)30(34)35)27(33)29-20-12-11-19(28)23-24(20)26(32)18-9-6-5-8-17(18)25(23)31/h5-6,8-13,15H,2-4,7,14H2,1H3,(H,29,33)