1,1-bis(4-nitrophenyl)urea; 4,6-dimethyl-1H-pyrimidin-2-one

Systemtic Name: 1,1-bis(4-nitrophenyl)urea; 4,6-dimethyl-1H-pyrimidin-2-one Openeye Name: 1,1-bis(4-nitrophenyl)urea; 4,6-dimethyl-1H-pyrimidin-2-one CAS Name: 1,1-bis(4-nitrophenyl)urea; 4,6-dimethyl-1H-pyrimidin-2-one IUPAC Name: 1,1-bis(4-nitrophenyl)urea; 4,6-dimethyl-1H-pyrimidin-2-one Traditional Name: 1,1-bis(4-nitrophenyl)urea; 4,6-dimethyl-1H-pyrimidin-2-one Formula: C19H18N6O6 MolecularWeight: 426.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1)C.C1=CC(=CC=C1N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=O)N1)C.C1=CC(=CC=C1N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O5.C6H8N2O/c14-13(18)15(9-1-5-11(6-2-9)16(19)20)10-3-7-12(8-4-10)17(21)22;1-4-3-5(2)8-6(9)7-4/h1-8H,(H2,14,18);3H,1-2H3,(H,7,8,9)