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

Systemtic Name: 3-[2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-methyl-6-[(E)-2-(3-nitrophenyl)vinyl]-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-2-methyl-6-[(E)-2-(3-nitrophenyl)vinyl]-1H-pyrimidin-5-yl]propionic acid Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5/c1-10-17-14(13(16(22)18-10)6-8-15(20)21)7-5-11-3-2-4-12(9-11)19(23)24/h2-5,7,9H,6,8H2,1H3,(H,20,21)(H,17,18,22)/b7-5+