propan-2-yl (E)-3-(5-butyl-4-nitro-thiophen-2-yl)-2-cyano-prop-2-enoate

Systemtic Name: propan-2-yl (E)-3-(5-butyl-4-nitro-thiophen-2-yl)-2-cyano-prop-2-enoate Openeye Name: isopropyl (E)-3-(5-butyl-4-nitro-2-thienyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(5-butyl-4-nitro-2-thiophenyl)-2-cyano-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-(5-butyl-4-nitrothiophen-2-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(5-butyl-4-nitro-2-thienyl)-2-cyano-acrylic acid isopropyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(S1)C=C(C#N)C(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C=C(S1)/C=C(\C#N)/C(=O)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O4S/c1-4-5-6-14-13(17(19)20)8-12(22-14)7-11(9-16)15(18)21-10(2)3/h7-8,10H,4-6H2,1-3H3/b11-7+