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2-[(3-nitrophenyl)methyl]propanedioic acid

2-[(3-nitrophenyl)methyl]propanedioic acid

Systemtic Name:2-[(3-nitrophenyl)methyl]propanedioic acid
Openeye Name:2-[(3-nitrophenyl)methyl]propanedioic acid
CAS Name:2-[(3-nitrophenyl)methyl]propanedioic acid
IUPAC Name:2-[(3-nitrophenyl)methyl]propanedioic acid
Traditional Name:2-(3-nitrobenzyl)malonic acid
Formula: C10H9NO6
MolecularWeight: 239.18156
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C10H9NO6/c12-9(13)8(10(14)15)5-6-2-1-3-7(4-6)11(16)17/h1-4,8H,5H2,(H,12,13)(H,14,15)


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