[2-chloranyl-6-methoxy-4-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-chloranyl-6-methoxy-4-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-chloro-6-methoxy-4-[(E)-[(5-nitro-2-pyridyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-chloro-6-methoxy-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-chloro-6-methoxy-4-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-chloro-6-methoxy-4-[(E)-[(5-nitro-2-pyridyl)hydrazono]methyl]phenyl] ester Formula: C20H17ClN4O6S MolecularWeight: 476.89018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C=NNC3=NC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)/C=N/NC3=NC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H17ClN4O6S/c1-13-3-6-16(7-4-13)32(28,29)31-20-17(21)9-14(10-18(20)30-2)11-23-24-19-8-5-15(12-22-19)25(26)27/h3-12H,1-2H3,(H,22,24)/b23-11+