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

Systemtic Name: 2-[(E)-2-[2-methyl-1-(phenylmethyl)indol-3-yl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(1-benzyl-2-methyl-indol-3-yl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(E)-2-[2-methyl-1-(phenylmethyl)-3-indolyl]ethenyl]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(1-benzyl-2-methylindol-3-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(1-benzyl-2-methyl-indol-3-yl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=CC4=NC(=C(C(=O)N4)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)/C=C/C4=NC(=C(C(=O)N4)[N+](=O)[O-])O

InChI

InChI=1S/C22H18N4O4/c1-14-16(11-12-19-23-21(27)20(26(29)30)22(28)24-19)17-9-5-6-10-18(17)25(14)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H2,23,24,27,28)/b12-11+