2-ethoxy-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyridine-3-carboxamide

Systemtic Name: 2-ethoxy-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyridine-3-carboxamide Openeye Name: 2-ethoxy-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyridine-3-carboxamide CAS Name: 2-ethoxy-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-pyridinecarboxamide IUPAC Name: 2-ethoxy-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyridine-3-carboxamide Traditional Name: 2-ethoxy-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)nicotinamide Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

InChI

InChI=1S/C17H17N3O6/c1-2-24-17-11(5-3-6-18-17)16(21)19-12-9-14-15(10-13(12)20(22)23)26-8-4-7-25-14/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,19,21)