1-[2,2-diethoxyethyl-(phenylmethyl)amino]-3-(4-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[2,2-diethoxyethyl-(phenylmethyl)amino]-3-(4-nitrophenoxy)propan-2-ol Openeye Name: 1-[benzyl(2,2-diethoxyethyl)amino]-3-(4-nitrophenoxy)propan-2-ol CAS Name: 1-[2,2-diethoxyethyl-(phenylmethyl)amino]-3-(4-nitrophenoxy)-2-propanol IUPAC Name: 1-[benzyl(2,2-diethoxyethyl)amino]-3-(4-nitrophenoxy)propan-2-ol Traditional Name: 1-[benzyl(2,2-diethoxyethyl)amino]-3-(4-nitrophenoxy)propan-2-ol Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(CC1=CC=CC=C1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)OCC

Isomeric SMILES

CCOC(CN(CC1=CC=CC=C1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)OCC

InChI

InChI=1S/C22H30N2O6/c1-3-28-22(29-4-2)16-23(14-18-8-6-5-7-9-18)15-20(25)17-30-21-12-10-19(11-13-21)24(26)27/h5-13,20,22,25H,3-4,14-17H2,1-2H3