butyl 4-[2-(4-nitro-2-prop-2-enyl-phenoxy)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(4-nitro-2-prop-2-enyl-phenoxy)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2-allyl-4-nitro-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(4-nitro-2-prop-2-enylphenoxy)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-allyl-4-nitro-phenoxy)acetyl]amino]benzoic acid butyl ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6/c1-3-5-13-29-22(26)16-7-9-18(10-8-16)23-21(25)15-30-20-12-11-19(24(27)28)14-17(20)6-4-2/h4,7-12,14H,2-3,5-6,13,15H2,1H3,(H,23,25)