(2R)-3-ethanoyl-1-hexyl-2-(2-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-3-ethanoyl-1-hexyl-2-(2-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-1-hexyl-2-(2-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-1-hexyl-2-(2-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-1-hexyl-2-(2-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-1-hexyl-2-keto-5-(2-nitrophenyl)-3-pyrrolin-3-olate Formula: C18H21N2O5- MolecularWeight: 345.36974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(C(=C(C1=O)[O-])C(=O)C)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1[C@@H](C(=C(C1=O)[O-])C(=O)C)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O5/c1-3-4-5-8-11-19-16(15(12(2)21)17(22)18(19)23)13-9-6-7-10-14(13)20(24)25/h6-7,9-10,16,22H,3-5,8,11H2,1-2H3/p-1/t16-/m1/s1