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(3E)-3-(2,1,3-benzoxadiazol-5-ylmethoxyimino)-6-methoxy-1,2-dihydroinden-5-ol

HCID 87138679
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Basic information

Standard SMILES
COc1cc2c(cc1O)/C(=N/OCc1ccc3nonc3c1)CC2
InChIKey
YSDJMXMYGSBFIC-QGOAFFKASA-N
Molecular formula
C17H15N3O4
Average molar mass
325.32 g/mol

Names & identifiers

Preferred name
(3E)-3-(2,1,3-benzoxadiazol-5-ylmethoxyimino)-6-methoxy-1,2-dihydroinden-5-ol
IUPAC
(3E)-3-(2,1,3-benzoxadiazol-5-ylmethoxyimino)-6-methoxy-1,2-dihydroinden-5-ol

Names & synonyms

SCHEMBL661585

Database identifiers

PubChem CID
87138679

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
90 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
24
Formal charge
0
Complexity
475

Related reactions

1 records
New reaction record
HRID 41954 reaction equation
HRID 41954As productuspto-grants-2013_09

Compound notes

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