2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-prop-2-ynyl-ethanamide Openeye Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-prop-2-ynyl-acetamide CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-prop-2-ynylacetamide IUPAC Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-prop-2-ynylacetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-propargyl-acetamide Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O5/c1-2-5-14-12(17)7-15-10-6-9(16(19)20)3-4-11(10)21-8-13(15)18/h1,3-4,6H,5,7-8H2,(H,14,17)