methyl (E)-4-(4-nitrophenyl)-2-oxidanylidene-but-3-enoate

Systemtic Name: methyl (E)-4-(4-nitrophenyl)-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-4-(4-nitrophenyl)-2-oxo-but-3-enoate CAS Name: (E)-4-(4-nitrophenyl)-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(4-nitrophenyl)-2-oxobut-3-enoate Traditional Name: (E)-2-keto-4-(4-nitrophenyl)but-3-enoic acid methyl ester Formula: C11H9NO5 MolecularWeight: 235.19286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H9NO5/c1-17-11(14)10(13)7-4-8-2-5-9(6-3-8)12(15)16/h2-7H,1H3/b7-4+