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2-(3-nitrophenyl)heptanoic acid

2-(3-nitrophenyl)heptanoic acid

Systemtic Name:2-(3-nitrophenyl)heptanoic acid
Openeye Name:2-(3-nitrophenyl)heptanoic acid
CAS Name:2-(3-nitrophenyl)heptanoic acid
IUPAC Name:2-(3-nitrophenyl)heptanoic acid
Traditional Name:2-(3-nitrophenyl)enanthic acid
Formula: C13H17NO4
MolecularWeight: 251.27838
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H17NO4/c1-2-3-4-8-12(13(15)16)10-6-5-7-11(9-10)14(17)18/h5-7,9,12H,2-4,8H2,1H3,(H,15,16)


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