Methyl 4-dimethylaminovinyl-3-nitrobenzoate

HCID 894336

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

Related reactions

11 records

Compound notes

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