2-[4-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C22H24N5O6+ MolecularWeight: 454.45586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O6/c28-20(23-16-4-2-1-3-5-16)13-24-8-10-25(11-9-24)21(29)14-26-18-12-17(27(31)32)6-7-19(18)33-15-22(26)30/h1-7,12H,8-11,13-15H2,(H,23,28)/p+1