2-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)ethyl 2-[bis(chloranyl)methyl]benzoate

Systemtic Name: 2-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)ethyl 2-[bis(chloranyl)methyl]benzoate Openeye Name: 2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl 2-(dichloromethyl)benzoate CAS Name: 2-(dichloromethyl)benzoic acid 2-(4-carbamoyl-3-nitro-1-pyrazolyl)ethyl ester IUPAC Name: 2-(4-carbamoyl-3-nitropyrazol-1-yl)ethyl 2-(dichloromethyl)benzoate Traditional Name: 2-(dichloromethyl)benzoic acid 2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl ester Formula: C14H12Cl2N4O5 MolecularWeight: 387.17488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(Cl)Cl)C(=O)OCCN2C=C(C(=N2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(Cl)Cl)C(=O)OCCN2C=C(C(=N2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C14H12Cl2N4O5/c15-11(16)8-3-1-2-4-9(8)14(22)25-6-5-19-7-10(12(17)21)13(18-19)20(23)24/h1-4,7,11H,5-6H2,(H2,17,21)