4-(5-cycloheptyloxycarbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl)-2-nitro-phenolate

Systemtic Name: 4-(5-cycloheptyloxycarbonyl-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl)-2-nitro-phenolate Openeye Name: 4-[5-(cycloheptoxycarbonyl)-6-methylene-2-oxo-hexahydropyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[5-[cycloheptyloxy(oxo)methyl]-6-methylene-2-oxo-1,3-diazinan-4-yl]-2-nitrophenolate IUPAC Name: 4-(5-cycloheptyloxycarbonyl-6-methylidene-2-oxo-1,3-diazinan-4-yl)-2-nitrophenolate Traditional Name: 4-[5-(cycloheptoxycarbonyl)-2-keto-6-methylene-hexahydropyrimidin-4-yl]-2-nitro-phenolate Formula: C19H22N3O6- MolecularWeight: 388.39448

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OC3CCCCCC3

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OC3CCCCCC3

InChI

InChI=1S/C19H23N3O6/c1-11-16(18(24)28-13-6-4-2-3-5-7-13)17(21-19(25)20-11)12-8-9-15(23)14(10-12)22(26)27/h8-10,13,16-17,23H,1-7H2,(H2,20,21,25)/p-1