ETHYL (2E)-2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)PROP-2-ENOATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H10N2O6
Molecular Weight	278.2176
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ETHYL (2E)-2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)PROP-2-ENOATE

Structure Search

SMILES

CCOC(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N

InChI

InChIKey=KZGBADQGBKGUGS-FPYGCLRLSA-N

InChI=1S/C12H10N2O6/c1-2-20-12(17)8(6-13)3-7-4-9(14(18)19)11(16)10(15)5-7/h3-5,15-16H,2H2,1H3/b8-3+

HIDE SMILES / InChI

Molecular Formula	C12H10N2O6
Molecular Weight	278.2176
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:30:22 GMT 2025` Edited by `admin` on `Mon Mar 31 21:30:22 GMT 2025`
Record UNII	J85I78QXHX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHYL (2E)-2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)PROP-2-ENOATE

Systematic Name

English

OR 545

Preferred Name

English

OR-545

Code

English

2-PROPENOIC ACID, 2-CYANO-3-(3,4-DIHYDROXY-5-NITROPHENYL)-, ETHYL ESTER

Common Name

English

ENTACAPONE IMPURITY B [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

J85I78QXHX

Created by admin on Mon Mar 31 21:30:22 GMT 2025 , Edited by admin on Mon Mar 31 21:30:22 GMT 2025

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CAS

116314-52-4

Created by admin on Mon Mar 31 21:30:22 GMT 2025 , Edited by admin on Mon Mar 31 21:30:22 GMT 2025

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EPA CompTox

DTXSID40151348

Created by admin on Mon Mar 31 21:30:22 GMT 2025 , Edited by admin on Mon Mar 31 21:30:22 GMT 2025

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PUBCHEM

44380432

Created by admin on Mon Mar 31 21:30:22 GMT 2025 , Edited by admin on Mon Mar 31 21:30:22 GMT 2025

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