2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-[(4-methyl-3-morpholinosulfonyl-phenyl)iminomethyl]-4-nitro-phenolate CAS Name: 2-[[4-methyl-3-(4-morpholinylsulfonyl)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(4-methyl-3-morpholinosulfonyl-phenyl)iminomethyl]-4-nitro-phenolate Formula: C18H18N3O6S- MolecularWeight: 404.41702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H19N3O6S/c1-13-2-3-15(11-18(13)28(25,26)20-6-8-27-9-7-20)19-12-14-10-16(21(23)24)4-5-17(14)22/h2-5,10-12,22H,6-9H2,1H3/p-1