5-[(E)-2-nitroethenyl]-1-(1-phenylethyl)pyrimidine-2,4-dione

Systemtic Name: 5-[(E)-2-nitroethenyl]-1-(1-phenylethyl)pyrimidine-2,4-dione Openeye Name: 5-[(E)-2-nitrovinyl]-1-(1-phenylethyl)pyrimidine-2,4-dione CAS Name: 5-[(E)-2-nitroethenyl]-1-(1-phenylethyl)pyrimidine-2,4-dione IUPAC Name: 5-[(E)-2-nitroethenyl]-1-(1-phenylethyl)pyrimidine-2,4-dione Traditional Name: 5-[(E)-2-nitrovinyl]-1-(1-phenylethyl)pyrimidine-2,4-quinone Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=C(C(=O)NC2=O)C=C[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=C(C(=O)NC2=O)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4/c1-10(11-5-3-2-4-6-11)16-9-12(7-8-17(20)21)13(18)15-14(16)19/h2-10H,1H3,(H,15,18,19)/b8-7+