5-(6-nitro-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)pentyl nitrate

Systemtic Name: 5-(6-nitro-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)pentyl nitrate Openeye Name: 5-(6-nitro-4-oxo-2H-1,3-benzoxazin-3-yl)pentyl nitrate CAS Name: nitric acid 5-(6-nitro-4-oxo-2H-1,3-benzoxazin-3-yl)pentyl ester IUPAC Name: 5-(6-nitro-4-oxo-2H-1,3-benzoxazin-3-yl)pentyl nitrate Traditional Name: nitric acid 5-(4-keto-6-nitro-2H-1,3-benzoxazin-3-yl)pentyl ester Formula: C13H15N3O7 MolecularWeight: 325.2741

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCCCO[N+](=O)[O-]

Isomeric SMILES

C1N(C(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCCCO[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O7/c17-13-11-8-10(15(18)19)4-5-12(11)22-9-14(13)6-2-1-3-7-23-16(20)21/h4-5,8H,1-3,6-7,9H2