3-ethanoyl-1-hexadecyl-2-(3-nitrophenyl)-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: 3-ethanoyl-1-hexadecyl-2-(3-nitrophenyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 3-acetyl-1-hexadecyl-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one CAS Name: 3-acetyl-1-hexadecyl-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one IUPAC Name: 3-acetyl-1-hexadecyl-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one Traditional Name: 4-acetyl-1-cetyl-3-hydroxy-5-(3-nitrophenyl)-3-pyrrolin-2-one Formula: C28H42N2O5 MolecularWeight: 486.64348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(C(=C(C1=O)O)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(C(=C(C1=O)O)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C28H42N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-26(25(22(2)31)27(32)28(29)33)23-18-17-19-24(21-23)30(34)35/h17-19,21,26,32H,3-16,20H2,1-2H3