[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]oxy-[4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]oxy-[4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethoxy]-[4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]oxy-[4-(2-methyl-5-nitrophenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]oxy-[4-(2-methyl-5-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethoxy]-[4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Formula: C17H16N3O7S- MolecularWeight: 406.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N=C2C=CC(=C([O-])OC(C)C(=O)N)C=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N=C2C=CC(=C([O-])O[C@@H](C)C(=O)N)C=C2

InChI

InChI=1S/C17H17N3O7S/c1-10-3-8-14(20(23)24)9-15(10)28(25,26)19-13-6-4-12(5-7-13)17(22)27-11(2)16(18)21/h3-9,11,22H,1-2H3,(H2,18,21)/p-1/t11-/m0/s1