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

Systemtic Name: 2-[(E)-2-(1-methylindol-3-yl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-[(E)-2-(1-methylindol-3-yl)vinyl]-5-nitro-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(E)-2-(1-methyl-3-indolyl)ethenyl]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(E)-2-(1-methylindol-3-yl)ethenyl]-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[(E)-2-(1-methylindol-3-yl)vinyl]-5-nitro-1H-pyrimidin-6-one Formula: C15H12N4O4 MolecularWeight: 312.28018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C15H12N4O4/c1-18-8-9(10-4-2-3-5-11(10)18)6-7-12-16-14(20)13(19(22)23)15(21)17-12/h2-8H,1H3,(H2,16,17,20,21)/b7-6+