2-ethanoyl-3-(2-nitrophenyl)-4-oxidanylidene-heptanoic acid

Systemtic Name: 2-ethanoyl-3-(2-nitrophenyl)-4-oxidanylidene-heptanoic acid Openeye Name: 2-acetyl-3-(2-nitrophenyl)-4-oxo-heptanoic acid CAS Name: 2-acetyl-3-(2-nitrophenyl)-4-oxoheptanoic acid IUPAC Name: 2-acetyl-3-(2-nitrophenyl)-4-oxoheptanoic acid Traditional Name: 2-acetyl-4-keto-3-(2-nitrophenyl)enanthic acid Formula: C15H17NO6 MolecularWeight: 307.29858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO6/c1-3-6-12(18)14(13(9(2)17)15(19)20)10-7-4-5-8-11(10)16(21)22/h4-5,7-8,13-14H,3,6H2,1-2H3,(H,19,20)