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3,5-dinitro-4-(phenethylamino)benzoic acid

3,5-dinitro-4-(phenethylamino)benzoic acid

Systemtic Name:3,5-dinitro-4-(phenethylamino)benzoic acid
Openeye Name:3,5-dinitro-4-(phenethylamino)benzoic acid
CAS Name:3,5-dinitro-4-(phenethylamino)benzoic acid
IUPAC Name:3,5-dinitro-4-(phenethylamino)benzoic acid
Traditional Name:3,5-dinitro-4-(phenethylamino)benzoic acid
Formula: C15H13N3O6
MolecularWeight: 331.28022
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C15H13N3O6/c19-15(20)11-8-12(17(21)22)14(13(9-11)18(23)24)16-7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,19,20)


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