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3-[(3-cyanophenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid
3-[(3-cyanophenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC(=CC(=C1)CN(CCC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-])C#N
Isomeric SMILES
C1=CC(=CC(=C1)CN(CCC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-])C#N
InChI
InChI=1S/C18H17N3O4/c19-11-15-2-1-3-16(10-15)13-20(9-8-18(22)23)12-14-4-6-17(7-5-14)21(24)25/h1-7,10H,8-9,12-13H2,(H,22,23)
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