[1-methyl-3-[(E)-2-nitroethenyl]indol-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-methyl-3-[(E)-2-nitroethenyl]indol-6-yl] 4-methylbenzenesulfonate Openeye Name: [1-methyl-3-[(E)-2-nitrovinyl]indol-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-methyl-3-[(E)-2-nitroethenyl]-6-indolyl] ester IUPAC Name: [1-methyl-3-[(E)-2-nitroethenyl]indol-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-methyl-3-[(E)-2-nitrovinyl]indol-6-yl] ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CN3C)C=C[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CN3C)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5S/c1-13-3-6-16(7-4-13)26(23,24)25-15-5-8-17-14(9-10-20(21)22)12-19(2)18(17)11-15/h3-12H,1-2H3/b10-9+