5-nitro-6-phenylmethoxy-2-[(phenylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride

Systemtic Name: 5-nitro-6-phenylmethoxy-2-[(phenylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride Openeye Name: 2-(benzylamino)-6-benzyloxy-5-nitro-tetralin-1-ol hydrochloride CAS Name: 5-nitro-6-phenylmethoxy-2-[(phenylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride IUPAC Name: 2-(benzylamino)-5-nitro-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride Traditional Name: 6-benzoxy-2-(benzylamino)-5-nitro-tetralin-1-ol hydrochloride Formula: C24H25ClN2O4 MolecularWeight: 440.9193

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2[N+](=O)[O-])OCC3=CC=CC=C3)C(C1NCC4=CC=CC=C4)O.Cl

Isomeric SMILES

C1CC2=C(C=CC(=C2[N+](=O)[O-])OCC3=CC=CC=C3)C(C1NCC4=CC=CC=C4)O.Cl

InChI

InChI=1S/C24H24N2O4.ClH/c27-24-20-12-14-22(30-16-18-9-5-2-6-10-18)23(26(28)29)19(20)11-13-21(24)25-15-17-7-3-1-4-8-17;/h1-10,12,14,21,24-25,27H,11,13,15-16H2;1H