[2-(bromomethyl)-1-(cyclohexylamino)-3-ethoxy-1,3-bis(oxidanylidene)propan-2-yl] 4-nitrobenzoate

Systemtic Name: [2-(bromomethyl)-1-(cyclohexylamino)-3-ethoxy-1,3-bis(oxidanylidene)propan-2-yl] 4-nitrobenzoate Openeye Name: [1-(bromomethyl)-1-(cyclohexylcarbamoyl)-2-ethoxy-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(bromomethyl)-1-(cyclohexylamino)-3-ethoxy-1,3-dioxopropan-2-yl] ester IUPAC Name: [2-(bromomethyl)-1-(cyclohexylamino)-3-ethoxy-1,3-dioxopropan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-(bromomethyl)-1-carbethoxy-2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C19H23BrN2O7 MolecularWeight: 471.29912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CBr)(C(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CBr)(C(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H23BrN2O7/c1-2-28-18(25)19(12-20,17(24)21-14-6-4-3-5-7-14)29-16(23)13-8-10-15(11-9-13)22(26)27/h8-11,14H,2-7,12H2,1H3,(H,21,24)