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PDBeChem : Molecule Descriptors
Molecule : 609
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24) |
2 |
InChIKey
|
InChI |
1.03 |
MYKOWOGZBMOVBJ-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
10.04 |
O=C(O)c5c3cccc4C(=O)n1c(nc2ccccc12)c(c34)cc5 |
4 |
SMILES
|
CACTVS |
3.341 |
OC(=O)c1ccc2c3nc4ccccc4n3C(=O)c5cccc1c25 |
5 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O |
6 |
Canonical SMILES
|
CACTVS |
3.341 |
OC(=O)c1ccc2c3nc4ccccc4n3C(=O)c5cccc1c25 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O |
|