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

Systemtic Name: 2-[2-methyl-6-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[2-methyl-6-[(E)-2-(4-nitrophenyl)vinyl]-4-oxo-1H-pyrimidin-5-yl]-2-phenyl-acetic acid CAS Name: 2-[2-methyl-6-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxo-1H-pyrimidin-5-yl]-2-phenylacetic acid IUPAC Name: 2-[2-methyl-6-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxo-1H-pyrimidin-5-yl]-2-phenylacetic acid Traditional Name: 2-[4-keto-2-methyl-6-[(E)-2-(4-nitrophenyl)vinyl]-1H-pyrimidin-5-yl]-2-phenyl-acetic acid Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=CC=C(C=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H17N3O5/c1-13-22-17(12-9-14-7-10-16(11-8-14)24(28)29)19(20(25)23-13)18(21(26)27)15-5-3-2-4-6-15/h2-12,18H,1H3,(H,26,27)(H,22,23,25)/b12-9+