methyl 4-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoate

Systemtic Name: methyl 4-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoate Openeye Name: methyl 4-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)butanoate CAS Name: 4-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)butanoate Traditional Name: 4-(3-keto-6-nitro-1,4-benzoxazin-4-yl)butyric acid methyl ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c1-20-13(17)3-2-6-14-10-7-9(15(18)19)4-5-11(10)21-8-12(14)16/h4-5,7H,2-3,6,8H2,1H3