2-ethanoyl-3-(2-nitronaphthalen-1-yl)butanoic acid

Systemtic Name: 2-ethanoyl-3-(2-nitronaphthalen-1-yl)butanoic acid Openeye Name: 2-acetyl-3-(2-nitro-1-naphthyl)butanoic acid CAS Name: 2-acetyl-3-(2-nitro-1-naphthalenyl)butanoic acid IUPAC Name: 2-acetyl-3-(2-nitronaphthalen-1-yl)butanoic acid Traditional Name: 2-acetyl-3-(2-nitro-1-naphthyl)butyric acid Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC2=CC=CC=C21)[N+](=O)[O-])C(C(=O)C)C(=O)O

Isomeric SMILES

CC(C1=C(C=CC2=CC=CC=C21)[N+](=O)[O-])C(C(=O)C)C(=O)O

InChI

InChI=1S/C16H15NO5/c1-9(14(10(2)18)16(19)20)15-12-6-4-3-5-11(12)7-8-13(15)17(21)22/h3-9,14H,1-2H3,(H,19,20)