ethyl 4-(dimethylamino)-2-(3-nitrophenyl)-2-[oxidanyl(pyridin-2-yl)methyl]butanoate

Systemtic Name: ethyl 4-(dimethylamino)-2-(3-nitrophenyl)-2-[oxidanyl(pyridin-2-yl)methyl]butanoate Openeye Name: ethyl 4-(dimethylamino)-2-[hydroxy(2-pyridyl)methyl]-2-(3-nitrophenyl)butanoate CAS Name: 4-(dimethylamino)-2-[hydroxy(2-pyridinyl)methyl]-2-(3-nitrophenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-(3-nitrophenyl)butanoate Traditional Name: 4-(dimethylamino)-2-[hydroxy(2-pyridyl)methyl]-2-(3-nitrophenyl)butyric acid ethyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCN(C)C)(C1=CC(=CC=C1)[N+](=O)[O-])C(C2=CC=CC=N2)O

Isomeric SMILES

CCOC(=O)C(CCN(C)C)(C1=CC(=CC=C1)[N+](=O)[O-])C(C2=CC=CC=N2)O

InChI

InChI=1S/C20H25N3O5/c1-4-28-19(25)20(11-13-22(2)3,18(24)17-10-5-6-12-21-17)15-8-7-9-16(14-15)23(26)27/h5-10,12,14,18,24H,4,11,13H2,1-3H3