5-(3-azanyl-2-methyl-3-oxidanylidene-propoxy)-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(3-azanyl-2-methyl-3-oxidanylidene-propoxy)-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-(3-amino-2-methyl-3-oxo-propoxy)-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-(3-amino-2-methyl-3-oxopropoxy)-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(3-amino-2-methyl-3-oxopropoxy)-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-(3-amino-3-keto-2-methyl-propoxy)-1-phenyl-pyrazole-4-carboxylic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=NN1C2=CC=CC=C2)C(=O)O)C(=O)N

Isomeric SMILES

CC(COC1=C(C=NN1C2=CC=CC=C2)C(=O)O)C(=O)N

InChI

InChI=1S/C14H15N3O4/c1-9(12(15)18)8-21-13-11(14(19)20)7-16-17(13)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H2,15,18)(H,19,20)