methyl 2-(2-nitrobenzoyl)benzoate

C15H11NO5 — CID 174908464

IUPACmethyl 2-(2-nitrobenzoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H11NO5/c1-21-15(18)11-7-3-2-6-10(11)14(17)12-8-4-5-9-13(12)16(19)20/h2-9H,1H3
InChIKeyTVZUPSHZGLKSQB-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.61
Rot. Bonds4

About methyl 2-(2-nitrobenzoyl)benzoate

methyl 2-(2-nitrobenzoyl)benzoate (PubChem CID 174908464) has the molecular formula C15H11NO5 and a molecular weight of 285.26 g/mol. Its IUPAC name is methyl 2-(2-nitrobenzoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-nitrobenzoyl)benzoate
PubChem CID174908464
Molecular FormulaC15H11NO5
Molecular Weight285.26 g/mol
Exact Mass285.06
IUPAC Namemethyl 2-(2-nitrobenzoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H11NO5/c1-21-15(18)11-7-3-2-6-10(11)14(17)12-8-4-5-9-13(12)16(19)20/h2-9H,1H3
InChIKeyTVZUPSHZGLKSQB-UHFFFAOYSA-N
XLogP2.61
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

fluoromethane;methyl 2-nitrobenzoate;1,1,1-trifluoroethane
CID 159234474
methyl 2-benzoyl-3-nitrobenzoate
CID 13401215
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
sodium;hydride;2-methoxycarbonyl-6-nitrobenzoic acid
CID 173336466
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
(2-nitrobenzoyl) 2-nitrobenzoate
CID 548654
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[bromo(dihydroxy)methyl]-3-nitrobenzoate
CID 143994385
methyl 7-hydroxy-10-(2-nitrobenzoyl)-6-oxobenzo[c]chromene-8-carboxylate
CID 71493069
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
methyl 2-(2-methoxyphenyl)-3-nitrobenzoate
CID 22740443
methyl 2-[(2-nitrophenyl)methylideneamino]benzoate
CID 11055192

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-nitrobenzoyl)benzoate?
The IUPAC name of methyl 2-(2-nitrobenzoyl)benzoate (CID 174908464) is methyl 2-(2-nitrobenzoyl)benzoate.
What is the SMILES notation for methyl 2-(2-nitrobenzoyl)benzoate?
The canonical SMILES for methyl 2-(2-nitrobenzoyl)benzoate is COC(=O)c1ccccc1C(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of methyl 2-(2-nitrobenzoyl)benzoate?
The InChIKey is TVZUPSHZGLKSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c1-21-15(18)11-7-3-2-6-10(11)14(17)12-8-4-5-9-13(12)16(19)20/h2-9H,1H3.
What are the key properties of methyl 2-(2-nitrobenzoyl)benzoate?
methyl 2-(2-nitrobenzoyl)benzoate has a molecular weight of 285.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-nitrobenzoyl)benzoate is sourced from PubChem (CID 174908464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).