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

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

Systemtic Name:4-[2-[(3-nitrophenyl)methylamino]phenoxy]phthalic acid
Openeye Name:4-[2-[(3-nitrophenyl)methylamino]phenoxy]phthalic acid
CAS Name:4-[2-[(3-nitrophenyl)methylamino]phenoxy]phthalic acid
IUPAC Name:4-[2-[(3-nitrophenyl)methylamino]phenoxy]phthalic acid
Traditional Name:4-[2-[(3-nitrobenzyl)amino]phenoxy]phthalic acid
Formula: C21H16N2O7
MolecularWeight: 408.36094
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCC2=CC(=CC=C2)[N+](=O)[O-])OC3=CC(=C(C=C3)C(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)NCC2=CC(=CC=C2)[N+](=O)[O-])OC3=CC(=C(C=C3)C(=O)O)C(=O)O


InChI

InChI=1S/C21H16N2O7/c24-20(25)16-9-8-15(11-17(16)21(26)27)30-19-7-2-1-6-18(19)22-12-13-4-3-5-14(10-13)23(28)29/h1-11,22H,12H2,(H,24,25)(H,26,27)


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