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

Systemtic Name: 4-[1-azanyl-4-(9H-carbazol-2-yloxy)-1-oxidanyl-butyl]-2-nitro-phenol hydrochloride Openeye Name: 4-[1-amino-4-(9H-carbazol-2-yloxy)-1-hydroxy-butyl]-2-nitro-phenol hydrochloride CAS Name: 4-[1-amino-4-(9H-carbazol-2-yloxy)-1-hydroxybutyl]-2-nitrophenol hydrochloride IUPAC Name: 4-[1-amino-4-(9H-carbazol-2-yloxy)-1-hydroxybutyl]-2-nitrophenol hydrochloride Traditional Name: 4-[1-amino-4-(9H-carbazol-2-yloxy)-1-hydroxy-butyl]-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)OCCCC(C4=CC(=C(C=C4)O)[N+](=O)[O-])(N)O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5.ClH/c23-22(27,14-6-9-21(26)20(12-14)25(28)29)10-3-11-30-15-7-8-17-16-4-1-2-5-18(16)24-19(17)13-15;/h1-2,4-9,12-13,24,26-27H,3,10-11,23H2;1H