azepan-1-yl-tert-butyl-(4-ethoxy-2-nitro-phenyl)imino-pyridin-4-yl-$l^{5}-phosphane

Systemtic Name: azepan-1-yl-tert-butyl-(4-ethoxy-2-nitro-phenyl)imino-pyridin-4-yl-$l^{5}-phosphane Openeye Name: azepan-1-yl-tert-butyl-(4-ethoxy-2-nitro-phenyl)imino-(4-pyridyl)-$l^{5}-phosphane CAS Name: 1-azepanyl-tert-butyl-(4-ethoxy-2-nitrophenyl)imino-pyridin-4-ylphosphorane IUPAC Name: azepan-1-yl-tert-butyl-(4-ethoxy-2-nitrophenyl)imino-pyridin-4-yl-$l^{5}-phosphane Traditional Name: azepan-1-yl-tert-butyl-(4-ethoxy-2-nitro-phenyl)imino-(4-pyridyl)phosphorane Formula: C23H33N4O3P MolecularWeight: 444.506881

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N=P(C2=CC=NC=C2)(C(C)(C)C)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)N=[P@](C2=CC=NC=C2)(C(C)(C)C)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H33N4O3P/c1-5-30-19-10-11-21(22(18-19)27(28)29)25-31(23(2,3)4,20-12-14-24-15-13-20)26-16-8-6-7-9-17-26/h10-15,18H,5-9,16-17H2,1-4H3/t31-/m0/s1