[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O5/c21-15(11-25-16(22)12-2-1-7-17-10-12)19-9-8-18-13-3-5-14(6-4-13)20(23)24/h1-7,10,18H,8-9,11H2,(H,19,21)