1-(butylamino)-4-[(4-chloranylcyclohexyl)amino]-6-nitro-anthracene-9,10-dione

Systemtic Name: 1-(butylamino)-4-[(4-chloranylcyclohexyl)amino]-6-nitro-anthracene-9,10-dione Openeye Name: 1-(butylamino)-4-[(4-chlorocyclohexyl)amino]-6-nitro-anthracene-9,10-dione CAS Name: 1-(butylamino)-4-[(4-chlorocyclohexyl)amino]-6-nitroanthracene-9,10-dione IUPAC Name: 1-(butylamino)-4-[(4-chlorocyclohexyl)amino]-6-nitroanthracene-9,10-dione Traditional Name: 1-(butylamino)-4-[(4-chlorocyclohexyl)amino]-6-nitro-9,10-anthraquinone Formula: C24H26ClN3O4 MolecularWeight: 455.93394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C(=C(C=C1)NC3CCC(CC3)Cl)C(=O)C4=C(C2=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C2C(=C(C=C1)NC3CCC(CC3)Cl)C(=O)C4=C(C2=O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26ClN3O4/c1-2-3-12-26-19-10-11-20(27-15-6-4-14(25)5-7-15)22-21(19)23(29)17-9-8-16(28(31)32)13-18(17)24(22)30/h8-11,13-15,26-27H,2-7,12H2,1H3