4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid

Systemtic Name: 4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid Openeye Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-5-methyl-isoxazole-3-carboxylic acid CAS Name: 4-[(4-chloro-3-nitro-1-pyrazolyl)methyl]-5-methyl-3-isoxazolecarboxylic acid IUPAC Name: 4-[(4-chloro-3-nitropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid Traditional Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-5-methyl-isoxazole-3-carboxylic acid Formula: C9H7ClN4O5 MolecularWeight: 286.62868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)O)CN2C=C(C(=N2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NO1)C(=O)O)CN2C=C(C(=N2)[N+](=O)[O-])Cl

InChI

InChI=1S/C9H7ClN4O5/c1-4-5(7(9(15)16)12-19-4)2-13-3-6(10)8(11-13)14(17)18/h3H,2H2,1H3,(H,15,16)