2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-[4-(pyrrolidinomethyl)benzyl]acetamide Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5/c27-21(23-12-16-3-5-17(6-4-16)13-24-9-1-2-10-24)14-25-19-11-18(26(29)30)7-8-20(19)31-15-22(25)28/h3-8,11H,1-2,9-10,12-15H2,(H,23,27)