methyl 3-nitro-4-(pyridin-3-ylmethylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-4-(pyridin-3-ylmethylcarbamoyl)benzoate Openeye Name: methyl 3-nitro-4-(3-pyridylmethylcarbamoyl)benzoate CAS Name: 3-nitro-4-[oxo-(3-pyridinylmethylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(pyridin-3-ylmethylcarbamoyl)benzoate Traditional Name: 3-nitro-4-(3-pyridylmethylcarbamoyl)benzoic acid methyl ester Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O5/c1-23-15(20)11-4-5-12(13(7-11)18(21)22)14(19)17-9-10-3-2-6-16-8-10/h2-8H,9H2,1H3,(H,17,19)