2-(dimethylamino)-5-nitro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide

Systemtic Name: 2-(dimethylamino)-5-nitro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide Openeye Name: 2-(dimethylamino)-5-nitro-N-[4-(tetrahydrofuran-2-ylmethylcarbamoylamino)phenyl]benzamide CAS Name: 2-(dimethylamino)-5-nitro-N-[4-[[oxo-(2-oxolanylmethylamino)methyl]amino]phenyl]benzamide IUPAC Name: 2-(dimethylamino)-5-nitro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide Traditional Name: 2-(dimethylamino)-5-nitro-N-[4-(tetrahydrofurfurylcarbamoylamino)phenyl]benzamide Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)NC(=O)NCC3CCCO3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)NC(=O)NCC3CCCO3

InChI

InChI=1S/C21H25N5O5/c1-25(2)19-10-9-16(26(29)30)12-18(19)20(27)23-14-5-7-15(8-6-14)24-21(28)22-13-17-4-3-11-31-17/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,23,27)(H2,22,24,28)