3-[[3-chloranyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylamino]benzoic acid

Systemtic Name: 3-[[3-chloranyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylamino]benzoic acid Openeye Name: 3-[[3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylamino]benzoic acid CAS Name: 3-[[3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylamino]benzoic acid IUPAC Name: 3-[[3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylamino]benzoic acid Traditional Name: 3-[[3-chloro-5-methoxy-4-(4-nitrobenzyl)oxy-benzyl]amino]benzoic acid Formula: C22H19ClN2O6 MolecularWeight: 442.84906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC=CC(=C2)C(=O)O)Cl)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC=CC(=C2)C(=O)O)Cl)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClN2O6/c1-30-20-10-15(12-24-17-4-2-3-16(11-17)22(26)27)9-19(23)21(20)31-13-14-5-7-18(8-6-14)25(28)29/h2-11,24H,12-13H2,1H3,(H,26,27)