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

Systemtic Name: 4-nitro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 1-[(4-isopropylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid CAS Name: 4-nitro-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-nitro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 1-[(4-isopropylphenoxy)methyl]-4-nitro-pyrazole-3-carboxylic acid Formula: C14H15N3O5 MolecularWeight: 305.286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5/c1-9(2)10-3-5-11(6-4-10)22-8-16-7-12(17(20)21)13(15-16)14(18)19/h3-7,9H,8H2,1-2H3,(H,18,19)