2-[(2S)-3-ethanoyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(2S)-3-ethanoyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(5S)-4-acetyl-3-hydroxy-2-keto-5-(4-nitrophenyl)-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C18H24N3O5+ MolecularWeight: 362.40026

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5/c1-4-19(5-2)10-11-20-16(15(12(3)22)17(23)18(20)24)13-6-8-14(9-7-13)21(25)26/h6-9,16,23H,4-5,10-11H2,1-3H3/p+1/t16-/m0/s1