methyl 4-nitro-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]thiophene-2-carboxylate

Systemtic Name: methyl 4-nitro-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]thiophene-2-carboxylate Openeye Name: methyl 4-nitro-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]thiophene-2-carboxylate CAS Name: 4-nitro-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-nitro-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]thiophene-2-carboxylate Traditional Name: 4-nitro-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]thiophene-2-carboxylic acid methyl ester Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)C=CC=CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO4S/c1-21-16(18)15-11-13(17(19)20)14(22-15)10-6-5-9-12-7-3-2-4-8-12/h2-11H,1H3/b9-5+,10-6+