2-[(E)-2-(1-hexylindol-3-yl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-(1-hexylindol-3-yl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(1-hexylindol-3-yl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(1-hexyl-3-indolyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(1-hexylindol-3-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(1-hexylindol-3-yl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C2=CC=CC=C21)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCN1C=C(C2=CC=CC=C21)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C20H22N4O4/c1-2-3-4-7-12-23-13-14(15-8-5-6-9-16(15)23)10-11-17-21-19(25)18(24(27)28)20(26)22-17/h5-6,8-11,13H,2-4,7,12H2,1H3,(H2,21,22,25,26)/b11-10+