7-chloranyl-N-(2-ethylhexyl)-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine

Systemtic Name: 7-chloranyl-N-(2-ethylhexyl)-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine Openeye Name: 7-chloro-N-(2-ethylhexyl)-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine CAS Name: 7-chloro-N-(2-ethylhexyl)-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine IUPAC Name: 7-chloro-N-(2-ethylhexyl)-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine Traditional Name: (7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-(2-ethylhexyl)amine Formula: C21H29ClN2O3 MolecularWeight: 392.91956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC12CCCCC1=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC(CC)CNC12CCCCC1=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H29ClN2O3/c1-3-5-8-15(4-2)14-23-21-10-7-6-9-17(21)11-16-12-18(22)13-19(24(25)26)20(16)27-21/h11-13,15,23H,3-10,14H2,1-2H3