(6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl) 2-methyl-3-(4-nitrophenyl)propanoate

Systemtic Name: (6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl) 2-methyl-3-(4-nitrophenyl)propanoate Openeye Name: (6-methyl-4-oxo-1H-pyrimidin-5-yl) 2-methyl-3-(4-nitrophenyl)propanoate CAS Name: 2-methyl-3-(4-nitrophenyl)propanoic acid (6-methyl-4-oxo-1H-pyrimidin-5-yl) ester IUPAC Name: (6-methyl-4-oxo-1H-pyrimidin-5-yl) 2-methyl-3-(4-nitrophenyl)propanoate Traditional Name: 2-methyl-3-(4-nitrophenyl)propionic acid (4-keto-6-methyl-1H-pyrimidin-5-yl) ester Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=CN1)OC(=O)C(C)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=CN1)OC(=O)C(C)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O5/c1-9(7-11-3-5-12(6-4-11)18(21)22)15(20)23-13-10(2)16-8-17-14(13)19/h3-6,8-9H,7H2,1-2H3,(H,16,17,19)