ethyl 3-nitro-4-[1-(pyridin-3-ylcarbonylamino)ethyl]benzoate

Systemtic Name: ethyl 3-nitro-4-[1-(pyridin-3-ylcarbonylamino)ethyl]benzoate Openeye Name: ethyl 3-nitro-4-[1-(pyridine-3-carbonylamino)ethyl]benzoate CAS Name: 3-nitro-4-[1-[[oxo(3-pyridinyl)methyl]amino]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-4-[1-(pyridine-3-carbonylamino)ethyl]benzoate Traditional Name: 4-(1-nicotinamidoethyl)-3-nitro-benzoic acid ethyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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