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

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]oxy-methanolate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethoxy]-[4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: [(2S)-1-anilino-1-oxopropan-2-yl]oxy-[4-(2-methyl-5-nitrophenyl)sulfonylimino-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl]oxy-[4-(2-methyl-5-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: [(1S)-2-anilino-2-keto-1-methyl-ethoxy]-[4-(2-methyl-5-nitro-phenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]methanolate Formula: C23H20N3O7S- MolecularWeight: 482.4858

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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)NC3=CC=CC=C3)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)NC3=CC=CC=C3)C=C2

InChI

InChI=1S/C23H21N3O7S/c1-15-8-13-20(26(29)30)14-21(15)34(31,32)25-19-11-9-17(10-12-19)23(28)33-16(2)22(27)24-18-6-4-3-5-7-18/h3-14,16,28H,1-2H3,(H,24,27)/p-1/t16-/m0/s1