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Details

Stereochemistry MIXED
Molecular Formula C14H14N4O5
Molecular Weight 318.2848
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 1-METHYL-6-NITRO-2-NITROSO-1,3,4,9-TETRAHYDROPYRIDO(3,4)-BINDOLE-3-CARBOXYLATE

SMILES

COC(=O)C1CC2=C(NC3=C2C=C(C=C3)[N+]([O-])=O)C(C)N1N=O

InChI

InChIKey=IKTLBDPHWJHKRH-UHFFFAOYSA-N
InChI=1S/C14H14N4O5/c1-7-13-10(6-12(14(19)23-2)17(7)16-20)9-5-8(18(21)22)3-4-11(9)15-13/h3-5,7,12,15H,6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H14N4O5
Molecular Weight 318.2848
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:42:27 UTC 2023
Edited
by admin
on Sat Dec 16 18:42:27 UTC 2023
Record UNII
22JZ15X0AZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 1-METHYL-6-NITRO-2-NITROSO-1,3,4,9-TETRAHYDROPYRIDO(3,4)-BINDOLE-3-CARBOXYLATE
Common Name English
2,3,4,9-TETRAHYDRO-1-METHYL-6-NITRO-2-NITROSO-1H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLIC ACID, METHYL ESTER
Common Name English
2,3,4,9-TETRAHYDRO-1-METHYL-6-NITRO-2-NITROSO-1H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLIC ACID METHYL ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70932364
Created by admin on Sat Dec 16 18:42:27 UTC 2023 , Edited by admin on Sat Dec 16 18:42:27 UTC 2023
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FDA UNII
22JZ15X0AZ
Created by admin on Sat Dec 16 18:42:27 UTC 2023 , Edited by admin on Sat Dec 16 18:42:27 UTC 2023
PRIMARY
CAS
144605-96-9
Created by admin on Sat Dec 16 18:42:27 UTC 2023 , Edited by admin on Sat Dec 16 18:42:27 UTC 2023
PRIMARY
PUBCHEM
154578
Created by admin on Sat Dec 16 18:42:27 UTC 2023 , Edited by admin on Sat Dec 16 18:42:27 UTC 2023
PRIMARY