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

Systemtic Name: pentyl 4-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]benzoate Openeye Name: pentyl 4-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(3-methyl-4-nitrophenoxy)-1-oxoethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]benzoic acid amyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-3-4-5-12-28-21(25)16-6-8-17(9-7-16)22-20(24)14-29-18-10-11-19(23(26)27)15(2)13-18/h6-11,13H,3-5,12,14H2,1-2H3,(H,22,24)