(E)-4-(3,5-dimethyl-4-nitro-phenyl)but-3-en-1-ol

Systemtic Name: (E)-4-(3,5-dimethyl-4-nitro-phenyl)but-3-en-1-ol Openeye Name: (E)-4-(3,5-dimethyl-4-nitro-phenyl)but-3-en-1-ol CAS Name: (E)-4-(3,5-dimethyl-4-nitrophenyl)-3-buten-1-ol IUPAC Name: (E)-4-(3,5-dimethyl-4-nitrophenyl)but-3-en-1-ol Traditional Name: (E)-4-(3,5-dimethyl-4-nitro-phenyl)but-3-en-1-ol Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-9-7-11(5-3-4-6-14)8-10(2)12(9)13(15)16/h3,5,7-8,14H,4,6H2,1-2H3/b5-3+