2-[2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-methyl-6-[(E)-2-(3-nitrophenyl)vinyl]-4-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-keto-2-methyl-6-[(E)-2-(3-nitrophenyl)vinyl]-1H-pyrimidin-5-yl]acetic acid Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C15H13N3O5/c1-9-16-13(12(8-14(19)20)15(21)17-9)6-5-10-3-2-4-11(7-10)18(22)23/h2-7H,8H2,1H3,(H,19,20)(H,16,17,21)/b6-5+