(2S)-N-(3-butoxypropyl)-2-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)-3-(3-nitrophenyl)-3-oxidanylidene-propanamide

Systemtic Name: (2S)-N-(3-butoxypropyl)-2-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)-3-(3-nitrophenyl)-3-oxidanylidene-propanamide Openeye Name: (2S)-N-(3-butoxypropyl)-2-(5-chloro-2-oxo-1-pyridyl)-3-(3-nitrophenyl)-3-oxo-propanamide CAS Name: (2S)-N-(3-butoxypropyl)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(3-nitrophenyl)-3-oxopropanamide IUPAC Name: (2S)-N-(3-butoxypropyl)-2-(5-chloro-2-oxopyridin-1-yl)-3-(3-nitrophenyl)-3-oxopropanamide Traditional Name: (2S)-N-(3-butoxypropyl)-2-(5-chloro-2-keto-1-pyridyl)-3-keto-3-(3-nitrophenyl)propionamide Formula: C21H24ClN3O6 MolecularWeight: 449.88476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=O)C(C(=O)C1=CC(=CC=C1)[N+](=O)[O-])N2C=C(C=CC2=O)Cl

Isomeric SMILES

CCCCOCCCNC(=O)[C@H](C(=O)C1=CC(=CC=C1)[N+](=O)[O-])N2C=C(C=CC2=O)Cl

InChI

InChI=1S/C21H24ClN3O6/c1-2-3-11-31-12-5-10-23-21(28)19(24-14-16(22)8-9-18(24)26)20(27)15-6-4-7-17(13-15)25(29)30/h4,6-9,13-14,19H,2-3,5,10-12H2,1H3,(H,23,28)/t19-/m0/s1