4-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-oxidanyl-ethyl]-2-nitro-phenol hydrochloride

Systemtic Name: 4-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-oxidanyl-ethyl]-2-nitro-phenol hydrochloride Openeye Name: 4-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxy-ethyl]-2-nitro-phenol hydrochloride CAS Name: 4-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-2-nitrophenol hydrochloride IUPAC Name: 4-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxyethyl]-2-nitrophenol hydrochloride Traditional Name: 4-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-hydroxy-ethyl]-2-nitro-phenol hydrochloride Formula: C22H22ClN3O5 MolecularWeight: 443.88018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)OCCNCC(C4=CC(=C(C=C4)O)[N+](=O)[O-])O.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)OCCNCC(C4=CC(=C(C=C4)O)[N+](=O)[O-])O.Cl

InChI

InChI=1S/C22H21N3O5.ClH/c26-21-8-5-14(11-20(21)25(28)29)22(27)13-23-9-10-30-15-6-7-17-16-3-1-2-4-18(16)24-19(17)12-15;/h1-8,11-12,22-24,26-27H,9-10,13H2;1H