(E)-4-[(2-methyl-5-nitro-phenyl)methoxy]-4-oxidanyl-but-3-en-2-one

Systemtic Name: (E)-4-[(2-methyl-5-nitro-phenyl)methoxy]-4-oxidanyl-but-3-en-2-one Openeye Name: (E)-4-hydroxy-4-[(2-methyl-5-nitro-phenyl)methoxy]but-3-en-2-one CAS Name: (E)-4-hydroxy-4-[(2-methyl-5-nitrophenyl)methoxy]-3-buten-2-one IUPAC Name: (E)-4-hydroxy-4-[(2-methyl-5-nitrophenyl)methoxy]but-3-en-2-one Traditional Name: (E)-4-hydroxy-4-(2-methyl-5-nitro-benzyl)oxy-but-3-en-2-one Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CO/C(=C/C(=O)C)/O

InChI

InChI=1S/C12H13NO5/c1-8-3-4-11(13(16)17)6-10(8)7-18-12(15)5-9(2)14/h3-6,15H,7H2,1-2H3/b12-5+