1-(cyclopropylmethyl)-5-ethanoyl-3-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(cyclopropylmethyl)-5-ethanoyl-3-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-acetyl-1-(cyclopropylmethyl)-3-(3-nitrophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-acetyl-1-(cyclopropylmethyl)-3-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-acetyl-1-(cyclopropylmethyl)-3-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-acetyl-1-(cyclopropylmethyl)-3-(3-nitrophenyl)barbituric acid Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(=O)N(C(=O)N(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3CC3

Isomeric SMILES

CC(=O)C1C(=O)N(C(=O)N(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3CC3

InChI

InChI=1S/C16H15N3O6/c1-9(20)13-14(21)17(8-10-5-6-10)16(23)18(15(13)22)11-3-2-4-12(7-11)19(24)25/h2-4,7,10,13H,5-6,8H2,1H3