1-ETHYL-1,4-DIHYDRO-4-OXO(1,3)DIOXOLO(4,5-G)CINNOLINE-3-CARBONITRILE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H9N3O3
Molecular Weight	243.2182
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-ETHYL-1,4-DIHYDRO-4-OXO(1,3)DIOXOLO(4,5-G)CINNOLINE-3-CARBONITRILE

Structure Search

SMILES

CCN1N=C(C#N)C(=O)C2=CC3=C(OCO3)C=C12

InChI

InChIKey=ZJNYDFMLLCPHFY-UHFFFAOYSA-N

InChI=1S/C12H9N3O3/c1-2-15-9-4-11-10(17-6-18-11)3-7(9)12(16)8(5-13)14-15/h3-4H,2,6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C12H9N3O3
Molecular Weight	243.2182
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:27:07 GMT 2023` Edited by `admin` on `Sat Dec 16 12:27:07 GMT 2023`
Record UNII	8AN5SN1ZNC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-ETHYL-1,4-DIHYDRO-4-OXO(1,3)DIOXOLO(4,5-G)CINNOLINE-3-CARBONITRILE

Systematic Name

English

1-ETHYL-3-CYANO-6,7-METHYLENEDIOXY-4-CINNOLONE

Systematic Name

English

(1,3)DIOXOLO(4,5-G)CINNOLINE-3-CARBONITRILE, 1-ETHYL-1,4-DIHYDRO-4-OXO-

Systematic Name

English

Code System Code Type Description

FDA UNII

8AN5SN1ZNC

Created by admin on Sat Dec 16 12:27:07 GMT 2023 , Edited by admin on Sat Dec 16 12:27:07 GMT 2023

PRIMARY

CAS

28657-79-6

Created by admin on Sat Dec 16 12:27:07 GMT 2023 , Edited by admin on Sat Dec 16 12:27:07 GMT 2023

PRIMARY

ECHA (EC/EINECS)

249-132-2

Created by admin on Sat Dec 16 12:27:07 GMT 2023 , Edited by admin on Sat Dec 16 12:27:07 GMT 2023

PRIMARY

EPA CompTox

DTXSID60182816

Created by admin on Sat Dec 16 12:27:07 GMT 2023 , Edited by admin on Sat Dec 16 12:27:07 GMT 2023

PRIMARY

PUBCHEM

120001

Created by admin on Sat Dec 16 12:27:07 GMT 2023 , Edited by admin on Sat Dec 16 12:27:07 GMT 2023

PRIMARY