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

Systemtic Name: methyl 3-(5-butyl-4-nitro-thiophen-2-yl)-2-cyano-prop-2-enoate Openeye Name: methyl 3-(5-butyl-4-nitro-2-thienyl)-2-cyano-prop-2-enoate CAS Name: 3-(5-butyl-4-nitro-2-thiophenyl)-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl 3-(5-butyl-4-nitrothiophen-2-yl)-2-cyanoprop-2-enoate Traditional Name: 3-(5-butyl-4-nitro-2-thienyl)-2-cyano-acrylic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4S/c1-3-4-5-12-11(15(17)18)7-10(20-12)6-9(8-14)13(16)19-2/h6-7H,3-5H2,1-2H3