(5-methyl-2-propan-2-yl-phenyl) (E)-3-(5-nitrothiophen-2-yl)prop-2-enoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) (E)-3-(5-nitrothiophen-2-yl)prop-2-enoate Openeye Name: (2-isopropyl-5-methyl-phenyl) (E)-3-(5-nitro-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-thiophenyl)-2-propenoic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) (E)-3-(5-nitrothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-thienyl)acrylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C=CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO4S/c1-11(2)14-7-4-12(3)10-15(14)22-17(19)9-6-13-5-8-16(23-13)18(20)21/h4-11H,1-3H3/b9-6+