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

Systemtic Name: 2-[(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-(2-hydroxyethyl)amino]ethanol Openeye Name: 2-[(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-(2-hydroxyethyl)amino]ethanol CAS Name: 2-[(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-(2-hydroxyethyl)amino]ethanol IUPAC Name: 2-[(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-(2-hydroxyethyl)amino]ethanol Traditional Name: 2-[(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-(2-hydroxyethyl)amino]ethanol Formula: C17H21ClN2O5 MolecularWeight: 368.81204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)N(CCO)CCO

Isomeric SMILES

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)N(CCO)CCO

InChI

InChI=1S/C17H21ClN2O5/c18-14-10-12-9-13-3-1-2-4-17(13,19(5-7-21)6-8-22)25-16(12)15(11-14)20(23)24/h9-11,21-22H,1-8H2