methyl 3-nitro-5-(pyridin-4-ylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-(pyridin-4-ylcarbamoyl)benzoate Openeye Name: methyl 3-nitro-5-(4-pyridylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-(pyridin-4-ylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(pyridin-4-ylcarbamoyl)benzoate Traditional Name: 3-nitro-5-(4-pyridylcarbamoyl)benzoic acid methyl ester Formula: C14H11N3O5 MolecularWeight: 301.25424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5/c1-22-14(19)10-6-9(7-12(8-10)17(20)21)13(18)16-11-2-4-15-5-3-11/h2-8H,1H3,(H,15,16,18)