2-[4-[[3-[(3-nitrophenyl)methylamino]phenyl]methylamino]phenyl]ethanoate

Systemtic Name: 2-[4-[[3-[(3-nitrophenyl)methylamino]phenyl]methylamino]phenyl]ethanoate Openeye Name: 2-[4-[[3-[(3-nitrophenyl)methylamino]phenyl]methylamino]phenyl]acetate CAS Name: 2-[4-[[3-[(3-nitrophenyl)methylamino]phenyl]methylamino]phenyl]acetate IUPAC Name: 2-[4-[[3-[(3-nitrophenyl)methylamino]phenyl]methylamino]phenyl]acetate Traditional Name: 2-[4-[[3-[(3-nitrobenzyl)amino]benzyl]amino]phenyl]acetate Formula: C22H20N3O4- MolecularWeight: 390.4119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=CC(=CC=C2)[N+](=O)[O-])CNC3=CC=C(C=C3)CC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=CC(=CC=C2)[N+](=O)[O-])CNC3=CC=C(C=C3)CC(=O)[O-]

InChI

InChI=1S/C22H21N3O4/c26-22(27)13-16-7-9-19(10-8-16)23-14-17-3-1-5-20(11-17)24-15-18-4-2-6-21(12-18)25(28)29/h1-12,23-24H,13-15H2,(H,26,27)/p-1