Basic information
- CAS
133831-27-3- Standard SMILES
COC(=O)c1ccc(C=CN(C)C)c([N+](=O)[O-])c1- InChIKey
RTGNZFSMKJWWKA-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.09535693
Overview
See also: Methyl 4-(2-dimethylamino)vinyl-3-nitrobenzoate (annotation moved to).
Names & identifiers
- Preferred name
- Methyl 4-dimethylaminovinyl-3-nitrobenzoate
- IUPAC
- methyl 4-[2-(dimethylamino)ethenyl]-3-nitrobenzoate
Names & synonyms
133831-27-3methyl 4-dimethylaminovinyl-3-nitrobenzoatemethyl 4-(2-(dimethylamino)vinyl)-3-nitrobenzoateSCHEMBL191305DTXSID40358431RTGNZFSMKJWWKA-UHFFFAOYSA-NDB-158503methyl 4-(2-dimethylaminovinyl)-3-nitrobenzoateMethyl 4-(2-dimethylaminovinyl)-3-nitro-benzoateMethyl 4-[2-(dimethylamino)ethen-1-yl]-3-nitrobenzoate4-(2-dimethylamino-vinyl)-3-nitrobenzoic acid methyl ester
Database identifiers
- CAS
133831-27-3- PubChem CID
- 894336
- DTXSID
DTXSID40358431
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 335
Related reactions
11 records
Compound notes
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