ethyl 3-nitro-5-(pyridin-3-ylmethylcarbamoyl)benzoate

Systemtic Name: ethyl 3-nitro-5-(pyridin-3-ylmethylcarbamoyl)benzoate Openeye Name: ethyl 3-nitro-5-(3-pyridylmethylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-(3-pyridinylmethylamino)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(pyridin-3-ylmethylcarbamoyl)benzoate Traditional Name: 3-nitro-5-(3-pyridylmethylcarbamoyl)benzoic acid ethyl ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5/c1-2-24-16(21)13-6-12(7-14(8-13)19(22)23)15(20)18-10-11-4-3-5-17-9-11/h3-9H,2,10H2,1H3,(H,18,20)