methyl 5-[[(6-methoxy-3-nitro-pyridin-2-yl)amino]methyl]-2-phenyl-benzoate

Systemtic Name: methyl 5-[[(6-methoxy-3-nitro-pyridin-2-yl)amino]methyl]-2-phenyl-benzoate Openeye Name: methyl 5-[[(6-methoxy-3-nitro-2-pyridyl)amino]methyl]-2-phenyl-benzoate CAS Name: 5-[[(6-methoxy-3-nitro-2-pyridinyl)amino]methyl]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 5-[[(6-methoxy-3-nitropyridin-2-yl)amino]methyl]-2-phenylbenzoate Traditional Name: 5-[[(6-methoxy-3-nitro-2-pyridyl)amino]methyl]-2-phenyl-benzoic acid methyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=NC(=C(C=C1)[N+](=O)[O-])NCC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H19N3O5/c1-28-19-11-10-18(24(26)27)20(23-19)22-13-14-8-9-16(15-6-4-3-5-7-15)17(12-14)21(25)29-2/h3-12H,13H2,1-2H3,(H,22,23)