[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate

C18H17N3O7 — CID 7840072

IUPAC[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H17N3O7/c1-27-15-4-2-3-12(9-15)10-17(23)28-11-16(22)19-20-18(24)13-5-7-14(8-6-13)21(25)26/h2-9H,10-11H2,1H3,(H,19,22)(H,20,24)
InChIKeyLTCCPIKYNXCBQJ-UHFFFAOYSA-N
MW387.35 g/mol
LogP1.15
Rot. Bonds7

About [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate

[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate (PubChem CID 7840072) has the molecular formula C18H17N3O7 and a molecular weight of 387.35 g/mol. Its IUPAC name is [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
PubChem CID7840072
Molecular FormulaC18H17N3O7
Molecular Weight387.35 g/mol
Exact Mass387.11
IUPAC Name[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H17N3O7/c1-27-15-4-2-3-12(9-15)10-17(23)28-11-16(22)19-20-18(24)13-5-7-14(8-6-13)21(25)26/h2-9H,10-11H2,1H3,(H,19,22)(H,20,24)
InChIKeyLTCCPIKYNXCBQJ-UHFFFAOYSA-N
XLogP1.15
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The IUPAC name of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate (CID 7840072) is [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate.
What is the SMILES notation for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The canonical SMILES for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate is COc1cccc(CC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
The InChIKey is LTCCPIKYNXCBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O7/c1-27-15-4-2-3-12(9-15)10-17(23)28-11-16(22)19-20-18(24)13-5-7-14(8-6-13)21(25)26/h2-9H,10-11H2,1H3,(H,19,22)(H,20,24).
What are the key properties of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate?
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate has a molecular weight of 387.35 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 7840072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).