2-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)ethyl 2-chloranylpropanoate

Systemtic Name: 2-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)ethyl 2-chloranylpropanoate Openeye Name: 2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl 2-chloropropanoate CAS Name: 2-chloropropanoic acid 2-(4-carbamoyl-3-nitro-1-pyrazolyl)ethyl ester IUPAC Name: 2-(4-carbamoyl-3-nitropyrazol-1-yl)ethyl 2-chloropropanoate Traditional Name: 2-chloropropionic acid 2-(4-carbamoyl-3-nitro-pyrazol-1-yl)ethyl ester Formula: C9H11ClN4O5 MolecularWeight: 290.66044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCN1C=C(C(=N1)[N+](=O)[O-])C(=O)N)Cl

Isomeric SMILES

CC(C(=O)OCCN1C=C(C(=N1)[N+](=O)[O-])C(=O)N)Cl

InChI

InChI=1S/C9H11ClN4O5/c1-5(10)9(16)19-3-2-13-4-6(7(11)15)8(12-13)14(17)18/h4-5H,2-3H2,1H3,(H2,11,15)