2-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)ethyl 3,4-bis(chloranyl)benzoate

Systemtic Name: 2-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)ethyl 3,4-bis(chloranyl)benzoate Openeye Name: 2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid 2-(4-carbamoyl-3-nitro-1-pyrazolyl)ethyl ester IUPAC Name: 2-(4-carbamoyl-3-nitropyrazol-1-yl)ethyl 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid 2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl ester Formula: C13H10Cl2N4O5 MolecularWeight: 373.1483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCCN2C=C(C(=N2)[N+](=O)[O-])C(=O)N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCCN2C=C(C(=N2)[N+](=O)[O-])C(=O)N)Cl)Cl

InChI

InChI=1S/C13H10Cl2N4O5/c14-9-2-1-7(5-10(9)15)13(21)24-4-3-18-6-8(11(16)20)12(17-18)19(22)23/h1-2,5-6H,3-4H2,(H2,16,20)