(5S)-3-methylidene-5-[(R)-(4-nitrophenyl)-oxidanyl-methyl]heptane-2,6-dione

Systemtic Name: (5S)-3-methylidene-5-[(R)-(4-nitrophenyl)-oxidanyl-methyl]heptane-2,6-dione Openeye Name: (3S)-3-[(R)-hydroxy-(4-nitrophenyl)methyl]-5-methylene-heptane-2,6-dione CAS Name: (3S)-3-[(R)-hydroxy-(4-nitrophenyl)methyl]-5-methyleneheptane-2,6-dione IUPAC Name: (3S)-3-[(R)-hydroxy-(4-nitrophenyl)methyl]-5-methylideneheptane-2,6-dione Traditional Name: (3S)-3-[(R)-hydroxy-(4-nitrophenyl)methyl]-5-methylene-heptane-2,6-dione Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)[C@@H](CC(=C)C(=O)C)[C@H](C1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C15H17NO5/c1-9(10(2)17)8-14(11(3)18)15(19)12-4-6-13(7-5-12)16(20)21/h4-7,14-15,19H,1,8H2,2-3H3/t14-,15+/m1/s1