4-(2-azanylethyl)-5-phenyl-1,2-dihydropyrazol-3-one; ethanedioic acid

Systemtic Name: 4-(2-azanylethyl)-5-phenyl-1,2-dihydropyrazol-3-one; ethanedioic acid Openeye Name: 4-(2-aminoethyl)-5-phenyl-1,2-dihydropyrazol-3-one; oxalic acid CAS Name: 4-(2-aminoethyl)-5-phenyl-1,2-dihydropyrazol-3-one; oxalic acid IUPAC Name: 4-(2-aminoethyl)-5-phenyl-1,2-dihydropyrazol-3-one; oxalic acid Traditional Name: 4-(2-aminoethyl)-5-phenyl-3-pyrazolin-3-one; oxalic acid Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NN2)CCN.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NN2)CCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H13N3O.C2H2O4/c12-7-6-9-10(13-14-11(9)15)8-4-2-1-3-5-8;3-1(4)2(5)6/h1-5H,6-7,12H2,(H2,13,14,15);(H,3,4)(H,5,6)