[5-bromanyl-3-[(E)-2-nitroethenyl]-1H-indol-7-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-bromanyl-3-[(E)-2-nitroethenyl]-1H-indol-7-yl] 4-methylbenzenesulfonate Openeye Name: [5-bromo-3-[(E)-2-nitrovinyl]-1H-indol-7-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-bromo-3-[(E)-2-nitroethenyl]-1H-indol-7-yl] ester IUPAC Name: [5-bromo-3-[(E)-2-nitroethenyl]-1H-indol-7-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-bromo-3-[(E)-2-nitrovinyl]-1H-indol-7-yl] ester Formula: C17H13BrN2O5S MolecularWeight: 437.26452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2)Br)C(=CN3)C=C[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2)Br)C(=CN3)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN2O5S/c1-11-2-4-14(5-3-11)26(23,24)25-16-9-13(18)8-15-12(6-7-20(21)22)10-19-17(15)16/h2-10,19H,1H3/b7-6+