(E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-1-(5-chloranylthiophen-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-1-(5-chloranylthiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-1-(5-chloro-2-thienyl)prop-2-en-1-one CAS Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-1-(5-chloro-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-1-(5-chlorothiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-1-(5-chloro-2-thienyl)prop-2-en-1-one Formula: C23H20ClNO4S MolecularWeight: 441.9272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=CC(=O)C3=CC=C(S3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)/C=C/C(=O)C3=CC=C(S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H20ClNO4S/c1-23(2,3)16-6-8-17(9-7-16)29-20-11-5-15(14-18(20)25(27)28)4-10-19(26)21-12-13-22(24)30-21/h4-14H,1-3H3/b10-4+