3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one

Systemtic Name: 3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one Openeye Name: 3-(4-isopentyloxy-3-methoxy-phenyl)-1-(4-nitrophenyl)prop-2-en-1-one CAS Name: 3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one Traditional Name: 3-(4-isoamoxy-3-methoxy-phenyl)-1-(4-nitrophenyl)prop-2-en-1-one Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-15(2)12-13-27-20-11-5-16(14-21(20)26-3)4-10-19(23)17-6-8-18(9-7-17)22(24)25/h4-11,14-15H,12-13H2,1-3H3