[2-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [2-methoxy-4-[(E)-morpholinoiminomethyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-4-morpholinyliminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-morpholin-4-yliminomethyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [2-methoxy-4-[(E)-morpholinoiminomethyl]phenyl] ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NN3CCOCC3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/N3CCOCC3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S/c1-14-3-5-16(12-17(14)22(23)24)30(25,26)29-18-6-4-15(11-19(18)27-2)13-20-21-7-9-28-10-8-21/h3-6,11-13H,7-10H2,1-2H3/b20-13+