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

Systemtic Name: [3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-oxidanylidene-1,3-diazinan-1-yl]methyl cyclohexanecarboxylate Openeye Name: [3-[(E)-(5-nitro-2-furyl)methyleneamino]-2-oxo-hexahydropyrimidin-1-yl]methyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic 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 cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-keto-3-[(E)-(5-nitro-2-furyl)methyleneamino]hexahydropyrimidin-1-yl]methyl ester Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OCN2CCCN(C2=O)N=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)OCN2CCCN(C2=O)/N=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O6/c22-16(13-5-2-1-3-6-13)26-12-19-9-4-10-20(17(19)23)18-11-14-7-8-15(27-14)21(24)25/h7-8,11,13H,1-6,9-10,12H2/b18-11+