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

Systemtic Name: (E)-1-(4-chloranyl-3-nitro-phenyl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-chloro-3-nitro-phenyl)-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-(4-chloro-3-nitrophenyl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-chloro-3-nitrophenyl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-chloro-3-nitro-phenyl)-3-(4-isoamoxy-3-methoxy-phenyl)prop-2-en-1-one Formula: C21H22ClNO5 MolecularWeight: 403.85608

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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)Cl)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO5/c1-14(2)10-11-28-20-9-5-15(12-21(20)27-3)4-8-19(24)16-6-7-17(22)18(13-16)23(25)26/h4-9,12-14H,10-11H2,1-3H3/b8-4+