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

Systemtic Name: 2-[methyl-(phenylmethyl)amino]-5-nitro-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride Openeye Name: 2-[benzyl(methyl)amino]-6-benzyloxy-5-nitro-tetralin-1-ol hydrochloride CAS Name: 2-[methyl-(phenylmethyl)amino]-5-nitro-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride IUPAC Name: 2-[benzyl(methyl)amino]-5-nitro-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride Traditional Name: 6-benzoxy-2-[benzyl(methyl)amino]-5-nitro-tetralin-1-ol hydrochloride Formula: C25H27ClN2O4 MolecularWeight: 454.94588

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCC3=C(C2O)C=CC(=C3[N+](=O)[O-])OCC4=CC=CC=C4.Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C2CCC3=C(C2O)C=CC(=C3[N+](=O)[O-])OCC4=CC=CC=C4.Cl

InChI

InChI=1S/C25H26N2O4.ClH/c1-26(16-18-8-4-2-5-9-18)22-14-12-20-21(25(22)28)13-15-23(24(20)27(29)30)31-17-19-10-6-3-7-11-19;/h2-11,13,15,22,25,28H,12,14,16-17H2,1H3;1H