ethyl 1-[(2S)-2-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)-3-(3-nitrophenyl)-3-oxidanylidene-propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)-3-(3-nitrophenyl)-3-oxidanylidene-propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-(5-chloro-2-oxo-1-pyridyl)-3-(3-nitrophenyl)-3-oxo-propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(3-nitrophenyl)-1,3-dioxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(5-chloro-2-oxopyridin-1-yl)-3-(3-nitrophenyl)-3-oxopropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(5-chloro-2-keto-1-pyridyl)-3-keto-3-(3-nitrophenyl)propanoyl]isonipecotic acid ethyl ester Formula: C22H22ClN3O7 MolecularWeight: 475.87898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3C=C(C=CC3=O)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3C=C(C=CC3=O)Cl

InChI

InChI=1S/C22H22ClN3O7/c1-2-33-22(30)14-8-10-24(11-9-14)21(29)19(25-13-16(23)6-7-18(25)27)20(28)15-4-3-5-17(12-15)26(31)32/h3-7,12-14,19H,2,8-11H2,1H3/t19-/m0/s1