[2-bromanyl-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4,5-bis(bromanyl)thiophene-2-carboxylate

Systemtic Name: [2-bromanyl-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4,5-bis(bromanyl)thiophene-2-carboxylate Openeye Name: [2-bromo-6-methoxy-4-[(E)-2-nitrovinyl]phenyl] 4,5-dibromothiophene-2-carboxylate CAS Name: 4,5-dibromo-2-thiophenecarboxylic acid [2-bromo-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] 4,5-dibromothiophene-2-carboxylate Traditional Name: 4,5-dibromothiophene-2-carboxylic acid [2-bromo-6-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C14H8Br3NO5S MolecularWeight: 541.99402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C[N+](=O)[O-])Br)OC(=O)C2=CC(=C(S2)Br)Br

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/[N+](=O)[O-])Br)OC(=O)C2=CC(=C(S2)Br)Br

InChI

InChI=1S/C14H8Br3NO5S/c1-22-10-5-7(2-3-18(20)21)4-8(15)12(10)23-14(19)11-6-9(16)13(17)24-11/h2-6H,1H3/b3-2+