(4-oxidanylidene-4-thiophen-2-yl-butyl) (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)OCCCC(=O)C2=CC=CS2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)OCCCC(=O)C2=CC=CS2

InChI

InChI=1S/C17H15NO5S/c19-15(16-7-3-11-24-16)6-2-10-23-17(20)9-8-13-4-1-5-14(12-13)18(21)22/h1,3-5,7-9,11-12H,2,6,10H2/b9-8+