(2R)-1-[2-(diethylazaniumyl)ethyl]-3-ethanoyl-2-(2-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-1-[2-(diethylazaniumyl)ethyl]-3-ethanoyl-2-(2-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-1-[2-(diethylammonio)ethyl]-2-(2-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-1-[2-(diethylammonio)ethyl]-2-(2-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-1-[2-(diethylazaniumyl)ethyl]-2-(2-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-1-[2-(diethylammonio)ethyl]-2-keto-5-(2-nitrophenyl)-3-pyrrolin-3-olate Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)[O-])C(=O)C)C2=CC=CC=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)13-8-6-7-9-14(13)21(25)26/h6-9,16,23H,4-5,10-11H2,1-3H3/t16-/m1/s1