3,4-dinitroso-N-oxobenzamide

C7H3N3O4 — CID 89411284

IUPAC3,4-dinitroso-N-oxobenzamide
SMILESO=NC(=O)c1ccc(N=O)c(N=O)c1
InChIInChI=1S/C7H3N3O4/c11-7(10-14)4-1-2-5(8-12)6(3-4)9-13/h1-3H
InChIKeyKCXBFLUNRPWNFS-UHFFFAOYSA-N
MW193.12 g/mol
LogP2.39
Rot. Bonds3

About 3,4-dinitroso-N-oxobenzamide

3,4-dinitroso-N-oxobenzamide (PubChem CID 89411284) has the molecular formula C7H3N3O4 and a molecular weight of 193.12 g/mol. Its IUPAC name is 3,4-dinitroso-N-oxobenzamide.

Molecular Properties

Compound Name3,4-dinitroso-N-oxobenzamide
PubChem CID89411284
Molecular FormulaC7H3N3O4
Molecular Weight193.12 g/mol
Exact Mass193.01
IUPAC Name3,4-dinitroso-N-oxobenzamide
SMILESO=NC(=O)c1ccc(N=O)c(N=O)c1
InChIInChI=1S/C7H3N3O4/c11-7(10-14)4-1-2-5(8-12)6(3-4)9-13/h1-3H
InChIKeyKCXBFLUNRPWNFS-UHFFFAOYSA-N
XLogP2.39
TPSA105.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Nitrobenzamide
CID 12091
3-Nitrobenzamide
CID 12576
3-Nitrosobenzamide
CID 1679
N-Hydroxy-4-nitrobenzamide
CID 5043691
1,2-Benzenedicarboxamide, 4-nitro-
CID 83167
Benzamide, N-hydroxy-3-nitro-
CID 4435105
4-Amino-3,5-dinitrobenzamide
CID 98638
1-(4-Amino-3-nitrophenyl)ethan-1-one
CID 11586389
4-Nitrobenzoyl azide
CID 102323
3,4-Diaminobenzamide
CID 21217843
3,4-Dinitrobenzaldehyde
CID 3362201
4-Amino-3-nitrobenzaldehyde
CID 13237703

Frequently Asked Questions

What is the IUPAC name of 3,4-dinitroso-N-oxobenzamide?
The IUPAC name of 3,4-dinitroso-N-oxobenzamide (CID 89411284) is 3,4-dinitroso-N-oxobenzamide.
What is the SMILES notation for 3,4-dinitroso-N-oxobenzamide?
The canonical SMILES for 3,4-dinitroso-N-oxobenzamide is O=NC(=O)c1ccc(N=O)c(N=O)c1.
What is the InChIKey of 3,4-dinitroso-N-oxobenzamide?
The InChIKey is KCXBFLUNRPWNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N3O4/c11-7(10-14)4-1-2-5(8-12)6(3-4)9-13/h1-3H.
What are the key properties of 3,4-dinitroso-N-oxobenzamide?
3,4-dinitroso-N-oxobenzamide has a molecular weight of 193.12 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dinitroso-N-oxobenzamide is sourced from PubChem (CID 89411284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).