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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=C(C(=N1)[N+](=O)[O-])C(=O)N)OC(=O)C2=CC=CC=C2C(Cl)Cl

Isomeric SMILES

CC(N1C=C(C(=N1)[N+](=O)[O-])C(=O)N)OC(=O)C2=CC=CC=C2C(Cl)Cl

InChI

InChI=1S/C14H12Cl2N4O5/c1-7(19-6-10(12(17)21)13(18-19)20(23)24)25-14(22)9-5-3-2-4-8(9)11(15)16/h2-7,11H,1H3,(H2,17,21)