Summary

IMPPAT Phytochemical identifier: IMPHY014675

Phytochemical name: 1-Methyl-3-nitro-1-nitrosoguanidine

Synonymous chemical names:
n-methyl-n'-nitro-n-nitrosoguanidine

External chemical identifiers:
CID:135436526, ChEMBL:CHEMBL440287, ChEBI:21759, ZINC:ZINC000004416378, FDASRS:12H3O2UGSF, SureChEMBL:SCHEMBL51610, MolPort-003-925-469

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Chemical structure information

SMILES:
O=NN(C(=N)N[N+](=O)[O-])C

InChI:
InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)

InChIKey:
VZUNGTLZRAYYDE-UHFFFAOYSA-N

DeepSMILES:
O=NNC=N)N[N+]=O)[O-]))))C

Functional groups:
CN(N=O)C(=N)N[N+](=O)[O-]

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Guanidines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.375

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Chemical structure download