(E)-1-[4-(3-methylbutoxy)phenyl]-3-(3-nitro-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(3-methylbutoxy)phenyl]-3-(3-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-hydroxy-3-nitro-phenyl)-1-(4-isopentyloxyphenyl)prop-2-en-1-one CAS Name: (E)-3-(4-hydroxy-3-nitrophenyl)-1-[4-(3-methylbutoxy)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-hydroxy-3-nitrophenyl)-1-[4-(3-methylbutoxy)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(4-hydroxy-3-nitro-phenyl)-1-(4-isoamoxyphenyl)prop-2-en-1-one Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO5/c1-14(2)11-12-26-17-7-5-16(6-8-17)19(22)9-3-15-4-10-20(23)18(13-15)21(24)25/h3-10,13-14,23H,11-12H2,1-2H3/b9-3+