[3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-oxidanylidene-1,3-diazinan-1-yl]methyl butanoate

Systemtic Name: [3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-oxidanylidene-1,3-diazinan-1-yl]methyl butanoate Openeye Name: [3-[(E)-(5-nitro-2-furyl)methyleneamino]-2-oxo-hexahydropyrimidin-1-yl]methyl butanoate CAS Name: butanoic acid [3-[(E)-(5-nitro-2-furanyl)methylideneamino]-2-oxo-1,3-diazinan-1-yl]methyl ester IUPAC Name: [3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-oxo-1,3-diazinan-1-yl]methyl butanoate Traditional Name: butyric acid [2-keto-3-[(E)-(5-nitro-2-furyl)methyleneamino]hexahydropyrimidin-1-yl]methyl ester Formula: C14H18N4O6 MolecularWeight: 338.31592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCN1CCCN(C1=O)N=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)OCN1CCCN(C1=O)/N=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O6/c1-2-4-13(19)23-10-16-7-3-8-17(14(16)20)15-9-11-5-6-12(24-11)18(21)22/h5-6,9H,2-4,7-8,10H2,1H3/b15-9+