methyl 3-nitro-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)benzoate Openeye Name: methyl 3-nitro-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)benzoate Traditional Name: 3-nitro-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)benzoic acid methyl ester Formula: C16H13N5O5 MolecularWeight: 355.30492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=NN=C3N2C=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=NN=C3N2C=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O5/c1-26-16(23)11-6-10(7-12(8-11)21(24)25)15(22)17-9-14-19-18-13-4-2-3-5-20(13)14/h2-8H,9H2,1H3,(H,17,22)