6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate

C16H13N4O8- — CID 7073085

IUPAC6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate
SMILESCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C(=O)[O-])c1OC
InChIInChI=1S/C16H14N4O8/c1-27-13-6-3-9(14(16(21)22)15(13)28-2)8-17-18-11-5-4-10(19(23)24)7-12(11)20(25)26/h3-8,18H,1-2H3,(H,21,22)/p-1/b17-8-
InChIKeyMZOWRDVJTQNQLQ-IUXPMGMMSA-M
MW389.30 g/mol
LogP1.33
Rot. Bonds8

About 6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate

6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate (PubChem CID 7073085) has the molecular formula C16H13N4O8- and a molecular weight of 389.30 g/mol. Its IUPAC name is 6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate.

Molecular Properties

Compound Name6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate
PubChem CID7073085
Molecular FormulaC16H13N4O8-
Molecular Weight389.30 g/mol
Exact Mass389.07
IUPAC Name6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate
SMILESCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C(=O)[O-])c1OC
InChIInChI=1S/C16H14N4O8/c1-27-13-6-3-9(14(16(21)22)15(13)28-2)8-17-18-11-5-4-10(19(23)24)7-12(11)20(25)26/h3-8,18H,1-2H3,(H,21,22)/p-1/b17-8-
InChIKeyMZOWRDVJTQNQLQ-IUXPMGMMSA-M
XLogP1.33
TPSA169.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate?
The IUPAC name of 6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate (CID 7073085) is 6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate.
What is the SMILES notation for 6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate?
The canonical SMILES for 6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate is COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C(=O)[O-])c1OC.
What is the InChIKey of 6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate?
The InChIKey is MZOWRDVJTQNQLQ-IUXPMGMMSA-M. The full InChI is InChI=1S/C16H14N4O8/c1-27-13-6-3-9(14(16(21)22)15(13)28-2)8-17-18-11-5-4-10(19(23)24)7-12(11)20(25)26/h3-8,18H,1-2H3,(H,21,22)/p-1/b17-8-.
What are the key properties of 6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate?
6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate has a molecular weight of 389.30 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate is sourced from PubChem (CID 7073085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).