2-[(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-methyl-amino]ethanol

Systemtic Name: 2-[(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-methyl-amino]ethanol Openeye Name: 2-[(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-methyl-amino]ethanol CAS Name: 2-[(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-methylamino]ethanol IUPAC Name: 2-[(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-methylamino]ethanol Traditional Name: 2-[(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-methyl-amino]ethanol Formula: C16H19ClN2O4 MolecularWeight: 338.78606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C12CCCCC1=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CCO)C12CCCCC1=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H19ClN2O4/c1-18(6-7-20)16-5-3-2-4-12(16)8-11-9-13(17)10-14(19(21)22)15(11)23-16/h8-10,20H,2-7H2,1H3