[2-bromanyl-6-methoxy-4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] thiophene-2-carboxylate

Systemtic Name: [2-bromanyl-6-methoxy-4-[2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]phenyl] thiophene-2-carboxylate Openeye Name: [2-bromo-6-methoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-bromo-6-methoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-bromo-4-[2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]-6-methoxy-phenyl] ester Formula: C18H12BrN3O7S MolecularWeight: 494.27278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])Br)OC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])Br)OC(=O)C3=CC=CS3

InChI

InChI=1S/C18H12BrN3O7S/c1-28-12-8-9(4-5-11-14(22(26)27)16(23)21-18(25)20-11)7-10(19)15(12)29-17(24)13-3-2-6-30-13/h2-8H,1H3,(H2,20,21,23,25)