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5-nitro-2-[(2-propyl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione

5-nitro-2-[(2-propyl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione

Systemtic Name:5-nitro-2-[(2-propyl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
Openeye Name:5-nitro-2-[(2-propylthiazol-4-yl)methyl]isoindoline-1,3-dione
CAS Name:5-nitro-2-[(2-propyl-4-thiazolyl)methyl]isoindole-1,3-dione
IUPAC Name:5-nitro-2-[(2-propyl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
Traditional Name:5-nitro-2-[(2-propylthiazol-4-yl)methyl]isoindoline-1,3-quinone
Formula: C15H13N3O4S
MolecularWeight: 331.34642
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CS1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

CCCC1=NC(=CS1)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C15H13N3O4S/c1-2-3-13-16-9(8-23-13)7-17-14(19)11-5-4-10(18(21)22)6-12(11)15(17)20/h4-6,8H,2-3,7H2,1H3


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