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6-nitro-3-[(pentylamino)methyl]-1,3-benzoxazol-2-one

6-nitro-3-[(pentylamino)methyl]-1,3-benzoxazol-2-one

Systemtic Name:6-nitro-3-[(pentylamino)methyl]-1,3-benzoxazol-2-one
Openeye Name:6-nitro-3-[(pentylamino)methyl]-1,3-benzoxazol-2-one
CAS Name:6-nitro-3-[(pentylamino)methyl]-1,3-benzoxazol-2-one
IUPAC Name:6-nitro-3-[(pentylamino)methyl]-1,3-benzoxazol-2-one
Traditional Name:3-[(amylamino)methyl]-6-nitro-1,3-benzoxazol-2-one
Formula: C13H17N3O4
MolecularWeight: 279.29178
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O


Isomeric SMILES

CCCCCNCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O


InChI

InChI=1S/C13H17N3O4/c1-2-3-4-7-14-9-15-11-6-5-10(16(18)19)8-12(11)20-13(15)17/h5-6,8,14H,2-4,7,9H2,1H3


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