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

Systemtic Name: 1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-nitrophenoxy)propan-2-ol Openeye Name: 1-[2,2-diethoxyethyl(2-thienylmethyl)amino]-3-(4-nitrophenoxy)propan-2-ol CAS Name: 1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-nitrophenoxy)-2-propanol IUPAC Name: 1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-nitrophenoxy)propan-2-ol Traditional Name: 1-[2,2-diethoxyethyl(2-thenyl)amino]-3-(4-nitrophenoxy)propan-2-ol Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(CC1=CC=CS1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)OCC

Isomeric SMILES

CCOC(CN(CC1=CC=CS1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)OCC

InChI

InChI=1S/C20H28N2O6S/c1-3-26-20(27-4-2)14-21(13-19-6-5-11-29-19)12-17(23)15-28-18-9-7-16(8-10-18)22(24)25/h5-11,17,20,23H,3-4,12-15H2,1-2H3