2-(5-nitro-3-oxidanylidene-1H-2-benzofuran-1-yl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-(5-nitro-3-oxidanylidene-1H-2-benzofuran-1-yl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-(5-nitro-3-oxo-1H-isobenzofuran-1-yl)-N-(3-pyridylmethyl)acetamide CAS Name: 2-(5-nitro-3-oxo-1H-isobenzofuran-1-yl)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-(5-nitro-3-oxo-1H-2-benzofuran-1-yl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(3-keto-5-nitro-phthalan-1-yl)-N-(3-pyridylmethyl)acetamide Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)CC2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)CC2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C16H13N3O5/c20-15(18-9-10-2-1-5-17-8-10)7-14-12-4-3-11(19(22)23)6-13(12)16(21)24-14/h1-6,8,14H,7,9H2,(H,18,20)