[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C16H16N4O6 MolecularWeight: 360.32144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H16N4O6/c21-15(11-26-16(22)14-3-1-2-10-19(14)23)18-9-8-17-12-4-6-13(7-5-12)20(24)25/h1-7,10,17H,8-9,11H2,(H,18,21)