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Details

Stereochemistry ACHIRAL
Molecular Formula C18H13NO7
Molecular Weight 355.2983
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARISTOLOCHIC ACID I METHYL ESTER

SMILES

COC(=O)C1=CC2=C(OCO2)C3=C1C(=CC4=C(OC)C=CC=C34)[N+]([O-])=O

InChI

InChIKey=RZUABJWVTLHGHJ-UHFFFAOYSA-N
InChI=1S/C18H13NO7/c1-23-13-5-3-4-9-10(13)6-12(19(21)22)15-11(18(20)24-2)7-14-17(16(9)15)26-8-25-14/h3-7H,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H13NO7
Molecular Weight 355.2983
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
VQL974W6E6
Record Status Validated (UNII)
Record Version