methyl 5-[[(3-nitropyridin-2-yl)amino]methyl]-2-phenyl-benzoate

Systemtic Name: methyl 5-[[(3-nitropyridin-2-yl)amino]methyl]-2-phenyl-benzoate Openeye Name: methyl 5-[[(3-nitro-2-pyridyl)amino]methyl]-2-phenyl-benzoate CAS Name: 5-[[(3-nitro-2-pyridinyl)amino]methyl]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 5-[[(3-nitropyridin-2-yl)amino]methyl]-2-phenylbenzoate Traditional Name: 5-[[(3-nitro-2-pyridyl)amino]methyl]-2-phenyl-benzoic acid methyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)CNC2=C(C=CC=N2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)CNC2=C(C=CC=N2)[N+](=O)[O-])C3=CC=CC=C3

InChI

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