2-methyl-5-[4-(3-methylbutoxy)-3-nitro-phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-methyl-5-[4-(3-methylbutoxy)-3-nitro-phenyl]pyrazole-3-carboxylic acid Openeye Name: 5-(4-isopentyloxy-3-nitro-phenyl)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 2-methyl-5-[4-(3-methylbutoxy)-3-nitrophenyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-methyl-5-[4-(3-methylbutoxy)-3-nitrophenyl]pyrazole-3-carboxylic acid Traditional Name: 5-(4-isoamoxy-3-nitro-phenyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C16H19N3O5 MolecularWeight: 333.33916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5/c1-10(2)6-7-24-15-5-4-11(8-13(15)19(22)23)12-9-14(16(20)21)18(3)17-12/h4-5,8-10H,6-7H2,1-3H3,(H,20,21)