3-[2-[(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-ethyl-amino]-1-oxidanyl-ethyl]phenol

Systemtic Name: 3-[2-[(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-ethyl-amino]-1-oxidanyl-ethyl]phenol Openeye Name: 3-[2-[(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-ethyl-amino]-1-hydroxy-ethyl]phenol CAS Name: 3-[2-[(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-ethylamino]-1-hydroxyethyl]phenol IUPAC Name: 3-[2-[(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-ethylamino]-1-hydroxyethyl]phenol Traditional Name: 3-[2-[(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-ethyl-amino]-1-hydroxy-ethyl]phenol Formula: C23H25ClN2O5 MolecularWeight: 444.908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(C1=CC(=CC=C1)O)O)C23CCCCC2=CC4=CC(=CC(=C4O3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC(C1=CC(=CC=C1)O)O)C23CCCCC2=CC4=CC(=CC(=C4O3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H25ClN2O5/c1-2-25(14-21(28)15-6-5-8-19(27)12-15)23-9-4-3-7-17(23)10-16-11-18(24)13-20(26(29)30)22(16)31-23/h5-6,8,10-13,21,27-28H,2-4,7,9,14H2,1H3