(4-aminocarbonyl-2-nitro-phenyl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C17H15N3O9 MolecularWeight: 405.3157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C17H15N3O9/c1-27-14-6-11(13(20(25)26)7-15(14)28-2)17(22)29-8-10-4-3-9(16(18)21)5-12(10)19(23)24/h3-7H,8H2,1-2H3,(H2,18,21)