methyl 2-(2-carbonocyanidoyl-5-nitro-phenyl)-4-nitro-benzoate

Systemtic Name: methyl 2-(2-carbonocyanidoyl-5-nitro-phenyl)-4-nitro-benzoate Openeye Name: methyl 2-(2-carbonocyanidoyl-5-nitro-phenyl)-4-nitro-benzoate CAS Name: 2-(2-carbonocyanidoyl-5-nitrophenyl)-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(2-carbonocyanidoyl-5-nitrophenyl)-4-nitrobenzoate Traditional Name: 2-(2-carbonocyanidoyl-5-nitro-phenyl)-4-nitro-benzoic acid methyl ester Formula: C16H9N3O7 MolecularWeight: 355.25856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C#N

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C#N

InChI

InChI=1S/C16H9N3O7/c1-26-16(21)12-5-3-10(19(24)25)7-14(12)13-6-9(18(22)23)2-4-11(13)15(20)8-17/h2-7H,1H3