4-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)butan-2-yl hydrogen carbonate

Systemtic Name: 4-(4-aminocarbonyl-3-nitro-pyrazol-1-yl)butan-2-yl hydrogen carbonate Openeye Name: [3-(4-carbamoyl-3-nitro-pyrazol-1-yl)-1-methyl-propyl] hydrogen carbonate CAS Name: carbonic acid 4-(4-carbamoyl-3-nitro-1-pyrazolyl)butan-2-yl ester IUPAC Name: 4-(4-carbamoyl-3-nitropyrazol-1-yl)butan-2-yl hydrogen carbonate Traditional Name: carbonic acid [3-(4-carbamoyl-3-nitro-pyrazol-1-yl)-1-methyl-propyl] ester Formula: C9H12N4O6 MolecularWeight: 272.21478

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=C(C(=N1)[N+](=O)[O-])C(=O)N)OC(=O)O

Isomeric SMILES

CC(CCN1C=C(C(=N1)[N+](=O)[O-])C(=O)N)OC(=O)O

InChI

InChI=1S/C9H12N4O6/c1-5(19-9(15)16)2-3-12-4-6(7(10)14)8(11-12)13(17)18/h4-5H,2-3H2,1H3,(H2,10,14)(H,15,16)