methyl 3-[(4-nitrophenyl)carbonylamino]-1-oxidanidyl-pyridin-1-ium-2-carboxylate

Systemtic Name: methyl 3-[(4-nitrophenyl)carbonylamino]-1-oxidanidyl-pyridin-1-ium-2-carboxylate Openeye Name: methyl 3-[(4-nitrobenzoyl)amino]-1-oxido-pyridin-1-ium-2-carboxylate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxido-2-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-nitrobenzoyl)amino]-1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 3-[(4-nitrobenzoyl)amino]-1-oxido-pyridin-1-ium-2-carboxylic acid methyl ester Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=[N+]1[O-])NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC=[N+]1[O-])NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O6/c1-23-14(19)12-11(3-2-8-16(12)20)15-13(18)9-4-6-10(7-5-9)17(21)22/h2-8H,1H3,(H,15,18)