ethyl 3-nitro-5-(2-pyridin-2-ylethylcarbamoyl)benzoate

Systemtic Name: ethyl 3-nitro-5-(2-pyridin-2-ylethylcarbamoyl)benzoate Openeye Name: ethyl 3-nitro-5-[2-(2-pyridyl)ethylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[2-(2-pyridinyl)ethylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(2-pyridin-2-ylethylcarbamoyl)benzoate Traditional Name: 3-nitro-5-[2-(2-pyridyl)ethylcarbamoyl]benzoic acid ethyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-2-25-17(22)13-9-12(10-15(11-13)20(23)24)16(21)19-8-6-14-5-3-4-7-18-14/h3-5,7,9-11H,2,6,8H2,1H3,(H,19,21)