4-[(3-cyano-4-nitro-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylate

Systemtic Name: 4-[(3-cyano-4-nitro-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylate Openeye Name: 4-[(3-cyano-4-nitro-pyrazol-1-yl)methyl]-5-methyl-isoxazole-3-carboxylate CAS Name: 4-[(3-cyano-4-nitro-1-pyrazolyl)methyl]-5-methyl-3-isoxazolecarboxylate IUPAC Name: 4-[(3-cyano-4-nitropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylate Traditional Name: 4-[(3-cyano-4-nitro-pyrazol-1-yl)methyl]-5-methyl-isoxazole-3-carboxylate Formula: C10H6N5O5- MolecularWeight: 276.18514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7N5O5/c1-5-6(9(10(16)17)13-20-5)3-14-4-8(15(18)19)7(2-11)12-14/h4H,3H2,1H3,(H,16,17)/p-1