(E,4S,5S)-4-methyl-5-(nitromethyl)-7-phenyl-hept-6-en-3-one

Systemtic Name: (E,4S,5S)-4-methyl-5-(nitromethyl)-7-phenyl-hept-6-en-3-one Openeye Name: (E,4S,5S)-4-methyl-5-(nitromethyl)-7-phenyl-hept-6-en-3-one CAS Name: (E,4S,5S)-4-methyl-5-(nitromethyl)-7-phenyl-6-hepten-3-one IUPAC Name: (E,4S,5S)-4-methyl-5-(nitromethyl)-7-phenylhept-6-en-3-one Traditional Name: (E,4S,5S)-4-methyl-5-(nitromethyl)-7-phenyl-hept-6-en-3-one Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-3-15(17)12(2)14(11-16(18)19)10-9-13-7-5-4-6-8-13/h4-10,12,14H,3,11H2,1-2H3/b10-9+/t12-,14+/m0/s1