(2-nitrobenzoyl) 2-(hydroxyamino)benzoate

C14H10N2O6 — CID 175536573

IUPAC(2-nitrobenzoyl) 2-(hydroxyamino)benzoate
SMILESO=C(OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1NO
InChIInChI=1S/C14H10N2O6/c17-13(9-5-1-3-7-11(9)15-19)22-14(18)10-6-2-4-8-12(10)16(20)21/h1-8,15,19H
InChIKeyKTYRBSMYLIEIHU-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.39
Rot. Bonds4

About (2-nitrobenzoyl) 2-(hydroxyamino)benzoate

(2-nitrobenzoyl) 2-(hydroxyamino)benzoate (PubChem CID 175536573) has the molecular formula C14H10N2O6 and a molecular weight of 302.24 g/mol. Its IUPAC name is (2-nitrobenzoyl) 2-(hydroxyamino)benzoate.

Molecular Properties

Compound Name(2-nitrobenzoyl) 2-(hydroxyamino)benzoate
PubChem CID175536573
Molecular FormulaC14H10N2O6
Molecular Weight302.24 g/mol
Exact Mass302.05
IUPAC Name(2-nitrobenzoyl) 2-(hydroxyamino)benzoate
SMILESO=C(OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1NO
InChIInChI=1S/C14H10N2O6/c17-13(9-5-1-3-7-11(9)15-19)22-14(18)10-6-2-4-8-12(10)16(20)21/h1-8,15,19H
InChIKeyKTYRBSMYLIEIHU-UHFFFAOYSA-N
XLogP2.39
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2-nitrobenzoyl) 2-nitrobenzoate
CID 548654
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
ethoxycarbonyl 2-nitrobenzoate
CID 19805482
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
N-(2-methyl-3-nitrophenyl)hydroxylamine
CID 5489549
cyano 2-nitrobenzoate
CID 154624336
fluoromethane;methyl 2-nitrobenzoate;1,1,1-trifluoroethane
CID 159234474
benzene;2-nitrobenzoic acid
CID 19891435
tert-butyl 2-nitrobenzoate;ethane
CID 142865512
methyl 2-(2-nitrobenzoyl)benzoate
CID 174908464
1-nitro-2-[1-[1-(2-nitrophenyl)ethenoxy]ethenyl]benzene
CID 22352871
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902

Frequently Asked Questions

What is the IUPAC name of (2-nitrobenzoyl) 2-(hydroxyamino)benzoate?
The IUPAC name of (2-nitrobenzoyl) 2-(hydroxyamino)benzoate (CID 175536573) is (2-nitrobenzoyl) 2-(hydroxyamino)benzoate.
What is the SMILES notation for (2-nitrobenzoyl) 2-(hydroxyamino)benzoate?
The canonical SMILES for (2-nitrobenzoyl) 2-(hydroxyamino)benzoate is O=C(OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1NO.
What is the InChIKey of (2-nitrobenzoyl) 2-(hydroxyamino)benzoate?
The InChIKey is KTYRBSMYLIEIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O6/c17-13(9-5-1-3-7-11(9)15-19)22-14(18)10-6-2-4-8-12(10)16(20)21/h1-8,15,19H.
What are the key properties of (2-nitrobenzoyl) 2-(hydroxyamino)benzoate?
(2-nitrobenzoyl) 2-(hydroxyamino)benzoate has a molecular weight of 302.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrobenzoyl) 2-(hydroxyamino)benzoate is sourced from PubChem (CID 175536573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).