1-oxidanyl-1-[4-[(3E)-3-(phenylmethyl)peroxyiminocyclohexa-1,5-dien-1-yl]but-3-yn-2-yl]urea

Systemtic Name: 1-oxidanyl-1-[4-[(3E)-3-(phenylmethyl)peroxyiminocyclohexa-1,5-dien-1-yl]but-3-yn-2-yl]urea Openeye Name: 1-[3-[(3E)-3-benzylperoxyiminocyclohexa-1,5-dien-1-yl]-1-methyl-prop-2-ynyl]-1-hydroxy-urea CAS Name: 1-hydroxy-1-[4-[(3E)-3-(phenylmethyl)dioxyimino-1-cyclohexa-1,5-dienyl]but-3-yn-2-yl]urea IUPAC Name: 1-[4-[(3E)-3-benzylperoxyiminocyclohexa-1,5-dien-1-yl]but-3-yn-2-yl]-1-hydroxyurea Traditional Name: 1-[3-[(3E)-3-benzoxyoximinocyclohexa-1,5-dien-1-yl]-1-methyl-prop-2-ynyl]-1-hydroxy-urea Formula: C18H19N3O4 MolecularWeight: 341.36116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC(=NOOCC2=CC=CC=C2)CC=C1)N(C(=O)N)O

Isomeric SMILES

CC(C#CC1=C/C(=N/OOCC2=CC=CC=C2)/CC=C1)N(C(=O)N)O

InChI

InChI=1S/C18H19N3O4/c1-14(21(23)18(19)22)10-11-15-8-5-9-17(12-15)20-25-24-13-16-6-3-2-4-7-16/h2-8,12,14,23H,9,13H2,1H3,(H2,19,22)/b20-17+