2-[(E)-2-(2-butoxynaphthalen-1-yl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-(2-butoxynaphthalen-1-yl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(2-butoxy-1-naphthyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(2-butoxy-1-naphthalenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(2-butoxynaphthalen-1-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(2-butoxy-1-naphthyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=CC=CC=C2C=C1)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

CCCCOC1=C(C2=CC=CC=C2C=C1)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C20H19N3O5/c1-2-3-12-28-16-10-8-13-6-4-5-7-14(13)15(16)9-11-17-21-19(24)18(23(26)27)20(25)22-17/h4-11H,2-3,12H2,1H3,(H2,21,22,24,25)/b11-9+