2-[[(2S)-2-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)-3-(3-nitrophenyl)-3-oxidanylidene-propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-2-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)-3-(3-nitrophenyl)-3-oxidanylidene-propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-(5-chloro-2-oxo-1-pyridyl)-3-(3-nitrophenyl)-3-oxo-propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(3-nitrophenyl)-1,3-dioxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-(5-chloro-2-oxopyridin-1-yl)-3-(3-nitrophenyl)-3-oxopropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-(5-chloro-2-keto-1-pyridyl)-3-keto-3-(3-nitrophenyl)propanoyl]amino]ethyl-dimethyl-ammonium Formula: C18H20ClN4O5+ MolecularWeight: 407.8282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O5/c1-21(2)9-8-20-18(26)16(22-11-13(19)6-7-15(22)24)17(25)12-4-3-5-14(10-12)23(27)28/h3-7,10-11,16H,8-9H2,1-2H3,(H,20,26)/p+1/t16-/m0/s1