methyl 2-[4-[[(3-nitropyridin-2-yl)amino]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[(3-nitropyridin-2-yl)amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[(3-nitro-2-pyridyl)amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[(3-nitro-2-pyridinyl)amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[(3-nitropyridin-2-yl)amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[(3-nitro-2-pyridyl)amino]methyl]phenyl]benzoic acid methyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4/c1-27-20(24)17-6-3-2-5-16(17)15-10-8-14(9-11-15)13-22-19-18(23(25)26)7-4-12-21-19/h2-12H,13H2,1H3,(H,21,22)