2-(cyclobutylamino)-5-nitro-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride

Systemtic Name: 2-(cyclobutylamino)-5-nitro-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride Openeye Name: 6-benzyloxy-2-(cyclobutylamino)-5-nitro-tetralin-1-ol hydrochloride CAS Name: 2-(cyclobutylamino)-5-nitro-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride IUPAC Name: 2-(cyclobutylamino)-5-nitro-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride Traditional Name: 6-benzoxy-2-(cyclobutylamino)-5-nitro-tetralin-1-ol hydrochloride Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2CCC3=C(C2O)C=CC(=C3[N+](=O)[O-])OCC4=CC=CC=C4.Cl

Isomeric SMILES

C1CC(C1)NC2CCC3=C(C2O)C=CC(=C3[N+](=O)[O-])OCC4=CC=CC=C4.Cl

InChI

InChI=1S/C21H24N2O4.ClH/c24-21-17-10-12-19(27-13-14-5-2-1-3-6-14)20(23(25)26)16(17)9-11-18(21)22-15-7-4-8-15;/h1-3,5-6,10,12,15,18,21-22,24H,4,7-9,11,13H2;1H