[1-aminocarbonyloxy-3-(4-chloranylphenoxy)propan-2-yl] 3,5-dinitrobenzoate

Systemtic Name: [1-aminocarbonyloxy-3-(4-chloranylphenoxy)propan-2-yl] 3,5-dinitrobenzoate Openeye Name: [1-(carbamoyloxymethyl)-2-(4-chlorophenoxy)ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [1-carbamoyloxy-3-(4-chlorophenoxy)propan-2-yl] ester IUPAC Name: [1-carbamoyloxy-3-(4-chlorophenoxy)propan-2-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [1-(carbamoyloxymethyl)-2-(4-chlorophenoxy)ethyl] ester Formula: C17H14ClN3O9 MolecularWeight: 439.76076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(COC(=O)N)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1OCC(COC(=O)N)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O9/c18-11-1-3-14(4-2-11)28-8-15(9-29-17(19)23)30-16(22)10-5-12(20(24)25)7-13(6-10)21(26)27/h1-7,15H,8-9H2,(H2,19,23)