(E)-Methyl 4-(2-(dimethylamino)vinyl)-3-nitrobenzoate

HCID 894337

Basic information

Standard SMILES
COC(=O)c1ccc(/C=C/N(C)C)c([N+](=O)[O-])c1
InChIKey
RTGNZFSMKJWWKA-VOTSOKGWSA-N
Molecular formula
C12H14N2O4
Average molar mass
250.25 g/mol
Monoisotopic mass
250.09535693

Names & identifiers

Preferred name
(E)-Methyl 4-(2-(dimethylamino)vinyl)-3-nitrobenzoate
IUPAC
methyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoate

Names & synonyms

104447-80-5(E)-Methyl 4-(2-(dimethylamino)vinyl)-3-nitrobenzoatemethyl 4-[(E)-2-(dimethylamino)ethenyl]-3-nitrobenzoateMethyl (E)-4-(2-(dimethylamino)vinyl)-3-nitrobenzoatemethyl (E)-4-[2-(dimethylamino)vinyl]-3-nitrobenzoateSCHEMBL191304RTGNZFSMKJWWKA-VOTSOKGWSA-NAKOS005264260methyl E-4-(2-dimethylaminovinyl)-3-nitrobenzoatemethyl E-4-(2-dimethylaminovinyl)3-nitrobenzoateSR-01000266780SR-01000266780-1
Show more names
(e)-1-(dimethylamino)-2-[4-(methoxycarbonyl)-2-nitrophenyl]ethene(E)-1-(dimethylamino)-2-[4-(methoxycarbonyl)-2-nitrophenyl]-etheneBenzoic acid, 4-[(1E)-2-(dimethylamino)ethenyl]-3-nitro-, methyl ester

Database identifiers

PubChem CID
894337

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

14 records

Linked notes

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