butyl (E)-2-cyano-3-[5-(3-nitrophenyl)thiophen-2-yl]prop-2-enoate

Systemtic Name: butyl (E)-2-cyano-3-[5-(3-nitrophenyl)thiophen-2-yl]prop-2-enoate Openeye Name: butyl (E)-2-cyano-3-[5-(3-nitrophenyl)-2-thienyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[5-(3-nitrophenyl)-2-thiophenyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-2-cyano-3-[5-(3-nitrophenyl)thiophen-2-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[5-(3-nitrophenyl)-2-thienyl]acrylic acid butyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=CC=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCOC(=O)/C(=C/C1=CC=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H16N2O4S/c1-2-3-9-24-18(21)14(12-19)11-16-7-8-17(25-16)13-5-4-6-15(10-13)20(22)23/h4-8,10-11H,2-3,9H2,1H3/b14-11+