5-ethyl-1,3-bis[(4-nitrophenyl)methyl]-5-pentyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-ethyl-1,3-bis[(4-nitrophenyl)methyl]-5-pentyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-ethyl-1,3-bis[(4-nitrophenyl)methyl]-5-pentyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-ethyl-1,3-bis[(4-nitrophenyl)methyl]-5-pentyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-ethyl-1,3-bis[(4-nitrophenyl)methyl]-5-pentyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-amyl-5-ethyl-1,3-bis(4-nitrobenzyl)barbituric acid Formula: C25H28N4O7 MolecularWeight: 496.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(=O)N(C(=O)N(C1=O)CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-])CC

Isomeric SMILES

CCCCCC1(C(=O)N(C(=O)N(C1=O)CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-])CC

InChI

InChI=1S/C25H28N4O7/c1-3-5-6-15-25(4-2)22(30)26(16-18-7-11-20(12-8-18)28(33)34)24(32)27(23(25)31)17-19-9-13-21(14-10-19)29(35)36/h7-14H,3-6,15-17H2,1-2H3