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4-[[2-[(3-nitrophenyl)methylamino]phenyl]methyl]phthalic acid

4-[[2-[(3-nitrophenyl)methylamino]phenyl]methyl]phthalic acid

Systemtic Name:4-[[2-[(3-nitrophenyl)methylamino]phenyl]methyl]phthalic acid
Openeye Name:4-[[2-[(3-nitrophenyl)methylamino]phenyl]methyl]phthalic acid
CAS Name:4-[[2-[(3-nitrophenyl)methylamino]phenyl]methyl]phthalic acid
IUPAC Name:4-[[2-[(3-nitrophenyl)methylamino]phenyl]methyl]phthalic acid
Traditional Name:4-[2-[(3-nitrobenzyl)amino]benzyl]phthalic acid
Formula: C22H18N2O6
MolecularWeight: 406.38812
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC(=C(C=C2)C(=O)O)C(=O)O)NCC3=CC(=CC=C3)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC(=C(C=C2)C(=O)O)C(=O)O)NCC3=CC(=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C22H18N2O6/c25-21(26)18-9-8-14(12-19(18)22(27)28)10-16-5-1-2-7-20(16)23-13-15-4-3-6-17(11-15)24(29)30/h1-9,11-12,23H,10,13H2,(H,25,26)(H,27,28)


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