4-nitro-1-(phenylmethyl)-5-propan-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 4-nitro-1-(phenylmethyl)-5-propan-2-yl-pyrazole-3-carboxylic acid Openeye Name: 1-benzyl-5-isopropyl-4-nitro-pyrazole-3-carboxylic acid CAS Name: 4-nitro-1-(phenylmethyl)-5-propan-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-4-nitro-5-propan-2-ylpyrazole-3-carboxylic acid Traditional Name: 1-benzyl-5-isopropyl-4-nitro-pyrazole-3-carboxylic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NN1CC2=CC=CC=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=NN1CC2=CC=CC=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c1-9(2)12-13(17(20)21)11(14(18)19)15-16(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,18,19)