Summary

IMPPAT Phytochemical identifier: IMPHY017223

Phytochemical name: Urea, N-nitroso-N-phenyl-

Synonymous chemical names:
urea,n-nitroso-n-phenyl-

External chemical identifiers:
CID:22649, ZINC:ZINC000004778128, FDASRS:EI3CV902WD, SureChEMBL:SCHEMBL1096892

---

Chemical structure information

SMILES:
O=NN(c1ccccc1)C(=O)N

InChI:
InChI=1S/C7H7N3O2/c8-7(11)10(9-12)6-4-2-1-3-5-6/h1-5H,(H2,8,11)

InChIKey:
ZJIKTJCGLLUNIJ-UHFFFAOYSA-N

DeepSMILES:
O=NNcccccc6))))))C=O)N

Functional groups:
cN(N=O)C(N)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: N-phenylureas

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP-Likeness score: -0.65

---

Chemical structure download