N-(azepan-1-yl-tert-butyl-pyridin-4-yl-$l^{5}-phosphanylidene)-4-nitro-benzamide

Systemtic Name: N-(azepan-1-yl-tert-butyl-pyridin-4-yl-$l^{5}-phosphanylidene)-4-nitro-benzamide Openeye Name: N-[azepan-1-yl-tert-butyl-(4-pyridyl)-$l^{5}-phosphanylidene]-4-nitro-benzamide CAS Name: N-(1-azepanyl-tert-butyl-pyridin-4-ylphosphoranylidene)-4-nitrobenzamide IUPAC Name: N-(azepan-1-yl-tert-butyl-pyridin-4-yl-$l^{5}-phosphanylidene)-4-nitrobenzamide Traditional Name: N-[azepan-1-yl-tert-butyl-(4-pyridyl)phosphoranylidene]-4-nitro-benzamide Formula: C22H29N4O3P MolecularWeight: 428.464421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=O)C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=NC=C2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)[P@](=NC(=O)C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=NC=C2)N3CCCCCC3

InChI

InChI=1S/C22H29N4O3P/c1-22(2,3)30(20-12-14-23-15-13-20,25-16-6-4-5-7-17-25)24-21(27)18-8-10-19(11-9-18)26(28)29/h8-15H,4-7,16-17H2,1-3H3/t30-/m0/s1