ethyl 3-nitro-5-(1-pyridin-4-ylethylcarbamoyl)benzoate

Systemtic Name: ethyl 3-nitro-5-(1-pyridin-4-ylethylcarbamoyl)benzoate Openeye Name: ethyl 3-nitro-5-[1-(4-pyridyl)ethylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-(1-pyridin-4-ylethylamino)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(1-pyridin-4-ylethylcarbamoyl)benzoate Traditional Name: 3-nitro-5-[1-(4-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)NC(C)C2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C)C2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-3-25-17(22)14-8-13(9-15(10-14)20(23)24)16(21)19-11(2)12-4-6-18-7-5-12/h4-11H,3H2,1-2H3,(H,19,21)