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

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

Systemtic Name:2-[(3-nitrophenyl)methyl]benzoic acid
Openeye Name:2-[(3-nitrophenyl)methyl]benzoic acid
CAS Name:2-[(3-nitrophenyl)methyl]benzoic acid
IUPAC Name:2-[(3-nitrophenyl)methyl]benzoic acid
Traditional Name:2-(3-nitrobenzyl)benzoic acid
Formula: C14H11NO4
MolecularWeight: 257.24144
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C14H11NO4/c16-14(17)13-7-2-1-5-11(13)8-10-4-3-6-12(9-10)15(18)19/h1-7,9H,8H2,(H,16,17)


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