methyl 3-[(2-ethoxypyridin-3-yl)methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2-ethoxypyridin-3-yl)methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-ethoxy-3-pyridyl)methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2-ethoxy-3-pyridinyl)methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-ethoxypyridin-3-yl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-ethoxy-3-pyridyl)methylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H17N3O6/c1-3-26-16-11(5-4-6-18-16)10-19-15(21)12-7-13(17(22)25-2)9-14(8-12)20(23)24/h4-9H,3,10H2,1-2H3,(H,19,21)