1-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-(benzylamino)-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-oxo-3-[(phenylmethyl)amino]propyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-(benzylamino)-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-(benzylamino)-3-keto-propyl]pyrazole-4-carboxylic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCN2C=C(C=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C14H15N3O3/c18-13(15-8-11-4-2-1-3-5-11)6-7-17-10-12(9-16-17)14(19)20/h1-5,9-10H,6-8H2,(H,15,18)(H,19,20)