methyl 3-[methyl-[(4-prop-2-enoxyphenyl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[methyl-[(4-prop-2-enoxyphenyl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-allyloxyphenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[methyl-[(4-prop-2-enoxyphenyl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-allyloxybenzyl)-methyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OCC=C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC1=CC=C(C=C1)OCC=C)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

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