N-[bis(azepan-1-yl)-(5-methylfuran-2-yl)-$l^{5}-phosphanylidene]-4-nitro-benzamide

Systemtic Name: N-[bis(azepan-1-yl)-(5-methylfuran-2-yl)-$l^{5}-phosphanylidene]-4-nitro-benzamide Openeye Name: N-[bis(azepan-1-yl)-(5-methyl-2-furyl)-$l^{5}-phosphanylidene]-4-nitro-benzamide CAS Name: N-[bis(1-azepanyl)-(5-methyl-2-furanyl)phosphoranylidene]-4-nitrobenzamide IUPAC Name: N-[bis(azepan-1-yl)-(5-methylfuran-2-yl)-$l^{5}-phosphanylidene]-4-nitrobenzamide Traditional Name: N-[bis(azepan-1-yl)-(5-methyl-2-furyl)phosphoranylidene]-4-nitro-benzamide Formula: C24H33N4O4P MolecularWeight: 472.516981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)P(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])(N3CCCCCC3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(O1)P(=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])(N3CCCCCC3)N4CCCCCC4

InChI

InChI=1S/C24H33N4O4P/c1-20-10-15-23(32-20)33(26-16-6-2-3-7-17-26,27-18-8-4-5-9-19-27)25-24(29)21-11-13-22(14-12-21)28(30)31/h10-15H,2-9,16-19H2,1H3