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

Systemtic Name: methyl 4-methyl-3-[2-(4-nitro-2-prop-2-enyl-phenoxy)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(2-allyl-4-nitro-phenoxy)acetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[2-(4-nitro-2-prop-2-enylphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]benzoate Traditional Name: 3-[[2-(2-allyl-4-nitro-phenoxy)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])CC=C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])CC=C

InChI

InChI=1S/C20H20N2O6/c1-4-5-14-10-16(22(25)26)8-9-18(14)28-12-19(23)21-17-11-15(20(24)27-3)7-6-13(17)2/h4,6-11H,1,5,12H2,2-3H3,(H,21,23)