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

Systemtic Name: 3-[(dodecylamino)methyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[(dodecylamino)methyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[(dodecylamino)methyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[(dodecylamino)methyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[(laurylamino)methyl]-6-nitro-1,3-benzoxazol-2-one Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCCCCCCCCCCCNCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C20H31N3O4/c1-2-3-4-5-6-7-8-9-10-11-14-21-16-22-18-13-12-17(23(25)26)15-19(18)27-20(22)24/h12-13,15,21H,2-11,14,16H2,1H3