[3-nitro-4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl] 2-phenoxypropanoate

Systemtic Name: [3-nitro-4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl] 2-phenoxypropanoate Openeye Name: [3-nitro-4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl] 2-phenoxypropanoate CAS Name: 2-phenoxypropanoic acid [3-nitro-4-[2-[[oxo-[4-(2-pyridinyl)phenyl]methyl]amino]ethoxy]phenyl] ester IUPAC Name: [3-nitro-4-[2-[(4-pyridin-2-ylbenzoyl)amino]ethoxy]phenyl] 2-phenoxypropanoate Traditional Name: 2-phenoxypropionic acid [3-nitro-4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl] ester Formula: C29H25N3O7 MolecularWeight: 527.5247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC(=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)C3=CC=CC=N3)[N+](=O)[O-])OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OC1=CC(=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)C3=CC=CC=N3)[N+](=O)[O-])OC4=CC=CC=C4

InChI

InChI=1S/C29H25N3O7/c1-20(38-23-7-3-2-4-8-23)29(34)39-24-14-15-27(26(19-24)32(35)36)37-18-17-31-28(33)22-12-10-21(11-13-22)25-9-5-6-16-30-25/h2-16,19-20H,17-18H2,1H3,(H,31,33)