1-[(4-methyl-2-nitro-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-methyl-2-nitro-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-[(4-methyl-2-nitro-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-[(4-methyl-2-nitrophenoxy)methyl]-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-methyl-2-nitrophenoxy)methyl]-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-[(4-methyl-2-nitro-phenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C12H10N4O7 MolecularWeight: 322.2304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=C(C(=N2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O7/c1-7-2-3-10(8(4-7)15(19)20)23-6-14-5-9(16(21)22)11(13-14)12(17)18/h2-5H,6H2,1H3,(H,17,18)