hexyl 4-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]benzoate

Systemtic Name: hexyl 4-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]benzoate Openeye Name: hexyl 4-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(3-methyl-4-nitrophenoxy)-1-oxoethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]benzoic acid hexyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C22H26N2O6/c1-3-4-5-6-13-29-22(26)17-7-9-18(10-8-17)23-21(25)15-30-19-11-12-20(24(27)28)16(2)14-19/h7-12,14H,3-6,13,15H2,1-2H3,(H,23,25)