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

Systemtic Name: butyl 3-[2-(3-methyl-4-nitro-phenoxy)ethanoylamino]benzoate Openeye Name: butyl 3-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]benzoate CAS Name: 3-[[2-(3-methyl-4-nitrophenoxy)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzoate Traditional Name: 3-[[2-(3-methyl-4-nitro-phenoxy)acetyl]amino]benzoic acid butyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-3-4-10-27-20(24)15-6-5-7-16(12-15)21-19(23)13-28-17-8-9-18(22(25)26)14(2)11-17/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,23)