[[2-(2-nitrophenoxy)-1-phenylethylidene]amino] N-(2,6-dimethylphenyl)carbamate
Basic information
- CAS
478043-13-9- Standard SMILES
Cc1cccc(C)c1NC(=O)ON=C(COc1ccccc1[N+](=O)[O-])c1ccccc1- InChIKey
OQLAJFKANZJUDP-UHFFFAOYSA-N- Molecular formula
- C23H21N3O5
- Average molar mass
- 419.4 g/mol
Names & identifiers
- Preferred name
- [[2-(2-nitrophenoxy)-1-phenylethylidene]amino] N-(2,6-dimethylphenyl)carbamate
- IUPAC
- [[2-(2-nitrophenoxy)-1-phenylethylidene]amino] N-(2,6-dimethylphenyl)carbamate
- English name
- 1,3-Dimethyl-2-([(([(Z)-2-(2-nitrophenoxy)-1-phenylethylidene]amino)oxy)carbonyl]amino)benzene
- Molecular formula
- C23H21N3O5
- Molecular weight
- 419.43
Names & synonyms
(Z)-[2-(2-nitrophenoxy)-1-phenylethylidene]amino N-(2,6-dimethylphenyl)carbamateN-([(2,6-DIMETHYLANILINO)CARBONYL]OXY)-N-[(Z)-2-(2-NITROPHENOXY)-1-PHENYLETHYLIDENE]AMINEEthanone, 2-(2-nitrophenoxy)-1-phenyl-, O-[[(2,6-dimethylphenyl)amino]carbonyl]oxime (9CI)1,3-Dimethyl-2-([(([(Z)-2-(2-nitrophenoxy)-1-phenylethylidene]amino)oxy)carbonyl]amino)benzene
Database identifiers
- CAS
478043-13-9
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 619
Physicochemical properties
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 12.45 · 12.45±0.70(Predicted)
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Compound notes
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