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

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(4-phenoxybutyl)ethanamide Openeye Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenoxybutyl)acetamide CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenoxybutyl)acetamide IUPAC Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenoxybutyl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-(4-phenoxybutyl)acetamide Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCCCCOC3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCCCCOC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O6/c24-19(21-10-4-5-11-28-16-6-2-1-3-7-16)13-22-17-12-15(23(26)27)8-9-18(17)29-14-20(22)25/h1-3,6-9,12H,4-5,10-11,13-14H2,(H,21,24)