1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one

Systemtic Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1OCC(CO1)(C)C(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N3C=NC=N3

Isomeric SMILES

CCC1OCC(CO1)(C)C(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N3C=NC=N3

InChI

InChI=1S/C18H22N4O5/c1-3-16-26-9-18(2,10-27-16)17(23)15(21-12-19-11-20-21)8-13-4-6-14(7-5-13)22(24)25/h4-7,11-12,15-16H,3,8-10H2,1-2H3