2-(hexylamino)-8-nitro-3,1-benzoxazin-4-one

Systemtic Name: 2-(hexylamino)-8-nitro-3,1-benzoxazin-4-one Openeye Name: 2-(hexylamino)-8-nitro-3,1-benzoxazin-4-one CAS Name: 2-(hexylamino)-8-nitro-3,1-benzoxazin-4-one IUPAC Name: 2-(hexylamino)-8-nitro-3,1-benzoxazin-4-one Traditional Name: 2-(hexylamino)-8-nitro-3,1-benzoxazin-4-one Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(C=CC=C2[N+](=O)[O-])C(=O)O1

Isomeric SMILES

CCCCCCNC1=NC2=C(C=CC=C2[N+](=O)[O-])C(=O)O1

InChI

InChI=1S/C14H17N3O4/c1-2-3-4-5-9-15-14-16-12-10(13(18)21-14)7-6-8-11(12)17(19)20/h6-8H,2-5,9H2,1H3,(H,15,16)