3-[(R)-(3-methoxy-2-nitro-phenyl)-oxidanyl-methyl]but-3-en-2-one

Systemtic Name: 3-[(R)-(3-methoxy-2-nitro-phenyl)-oxidanyl-methyl]but-3-en-2-one Openeye Name: 3-[(R)-hydroxy-(3-methoxy-2-nitro-phenyl)methyl]but-3-en-2-one CAS Name: 3-[(R)-hydroxy-(3-methoxy-2-nitrophenyl)methyl]-3-buten-2-one IUPAC Name: 3-[(R)-hydroxy-(3-methoxy-2-nitrophenyl)methyl]but-3-en-2-one Traditional Name: 3-[(R)-hydroxy-(3-methoxy-2-nitro-phenyl)methyl]but-3-en-2-one Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-7(8(2)14)12(15)9-5-4-6-10(18-3)11(9)13(16)17/h4-6,12,15H,1H2,2-3H3/t12-/m0/s1