ethyl 3-nitro-5-[(pyridin-3-ylcarbonylamino)carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[(pyridin-3-ylcarbonylamino)carbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[(pyridine-3-carbonylamino)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[oxo(3-pyridinyl)methyl]hydrazo]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[(pyridine-3-carbonylamino)carbamoyl]benzoate Traditional Name: 3-(nicotinamidocarbamoyl)-5-nitro-benzoic acid ethyl ester Formula: C16H14N4O6 MolecularWeight: 358.30556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O6/c1-2-26-16(23)12-6-11(7-13(8-12)20(24)25)15(22)19-18-14(21)10-4-3-5-17-9-10/h3-9H,2H2,1H3,(H,18,21)(H,19,22)