[5-bromanyl-2-[(E)-2-(4-butoxyphenyl)ethenyl]-4-methyl-3-nitro-6-oxidanylidene-pyridin-1-yl] benzenesulfonate

Systemtic Name: [5-bromanyl-2-[(E)-2-(4-butoxyphenyl)ethenyl]-4-methyl-3-nitro-6-oxidanylidene-pyridin-1-yl] benzenesulfonate Openeye Name: [5-bromo-2-[(E)-2-(4-butoxyphenyl)vinyl]-4-methyl-3-nitro-6-oxo-1-pyridyl] benzenesulfonate CAS Name: benzenesulfonic acid [5-bromo-2-[(E)-2-(4-butoxyphenyl)ethenyl]-4-methyl-3-nitro-6-oxo-1-pyridinyl] ester IUPAC Name: [5-bromo-2-[(E)-2-(4-butoxyphenyl)ethenyl]-4-methyl-3-nitro-6-oxopyridin-1-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [5-bromo-2-[(E)-2-(4-butoxyphenyl)vinyl]-6-keto-4-methyl-3-nitro-1-pyridyl] ester Formula: C24H23BrN2O7S MolecularWeight: 563.41762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC2=C(C(=C(C(=O)N2OS(=O)(=O)C3=CC=CC=C3)Br)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=C(C(=C(C(=O)N2OS(=O)(=O)C3=CC=CC=C3)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C24H23BrN2O7S/c1-3-4-16-33-19-13-10-18(11-14-19)12-15-21-23(27(29)30)17(2)22(25)24(28)26(21)34-35(31,32)20-8-6-5-7-9-20/h5-15H,3-4,16H2,1-2H3/b15-12+