(E,4R)-4-azanyl-1-phenyl-pent-1-en-3-one; ethanedioic acid

Systemtic Name: (E,4R)-4-azanyl-1-phenyl-pent-1-en-3-one; ethanedioic acid Openeye Name: (E,4R)-4-amino-1-phenyl-pent-1-en-3-one; oxalic acid CAS Name: (E,4R)-4-amino-1-phenyl-1-penten-3-one; oxalic acid IUPAC Name: (E,4R)-4-amino-1-phenylpent-1-en-3-one; oxalic acid Traditional Name: (E,4R)-4-amino-1-phenyl-pent-1-en-3-one; oxalic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=CC1=CC=CC=C1)N.C(=O)(C(=O)O)O

Isomeric SMILES

C[C@H](C(=O)/C=C/C1=CC=CC=C1)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H13NO.C2H2O4/c1-9(12)11(13)8-7-10-5-3-2-4-6-10;3-1(4)2(5)6/h2-9H,12H2,1H3;(H,3,4)(H,5,6)/b8-7+;/t9-;/m1./s1