5-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)pentanoic acid

Systemtic Name: 5-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)pentanoic acid Openeye Name: 5-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)pentanoic acid CAS Name: 5-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)pentanoic acid IUPAC Name: 5-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)pentanoic acid Traditional Name: 5-(3-keto-6-nitro-1,4-benzoxazin-4-yl)valeric acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCCC(=O)O

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CCCCC(=O)O

InChI

InChI=1S/C13H14N2O6/c16-12-8-21-11-5-4-9(15(19)20)7-10(11)14(12)6-2-1-3-13(17)18/h4-5,7H,1-3,6,8H2,(H,17,18)