[4-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-[(5-nitro-2-pyridyl)hydrazono]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(E)-[(5-nitro-2-pyridyl)hydrazono]methyl]phenyl] ester Formula: C19H15N5O7S MolecularWeight: 457.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC3=NC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=N/NC3=NC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O7S/c1-13-2-8-17(10-18(13)24(27)28)32(29,30)31-16-6-3-14(4-7-16)11-21-22-19-9-5-15(12-20-19)23(25)26/h2-12H,1H3,(H,20,22)/b21-11+