4-[4-[2-[[3-(2-azanyl-3-nitro-phenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propyl]phenoxy]benzamide

Systemtic Name: 4-[4-[2-[[3-(2-azanyl-3-nitro-phenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propyl]phenoxy]benzamide Openeye Name: 4-[4-[2-[[3-(2-amino-3-nitro-phenoxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]phenoxy]benzamide CAS Name: 4-[4-[2-[[3-(2-amino-3-nitrophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide IUPAC Name: 4-[4-[2-[[3-(2-amino-3-nitrophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide Traditional Name: 4-[4-[2-[[3-(2-amino-3-nitro-phenoxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]phenoxy]benzamide Formula: C26H30N4O6 MolecularWeight: 494.5396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)N)NCC(COC3=CC=CC(=C3N)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)N)NCC(COC3=CC=CC(=C3N)[N+](=O)[O-])O

InChI

InChI=1S/C26H30N4O6/c1-26(2,29-15-19(31)16-35-23-5-3-4-22(24(23)27)30(33)34)14-17-6-10-20(11-7-17)36-21-12-8-18(9-13-21)25(28)32/h3-13,19,29,31H,14-16,27H2,1-2H3,(H2,28,32)