[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]oxy-[6-(4-chloranyl-3-nitro-phenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]methanolate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]oxy-[6-(4-chloranyl-3-nitro-phenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]methanolate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethoxy]-[6-(4-chloro-3-nitro-phenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]methanolate CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]oxy-[6-(4-chloro-3-nitrophenyl)sulfonylimino-1-cyclohexa-2,4-dienylidene]methanolate IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]oxy-[6-(4-chloro-3-nitrophenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]methanolate Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethoxy]-[6-(4-chloro-3-nitro-phenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]methanolate Formula: C16H13ClN3O7S- MolecularWeight: 426.80832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=C1C=CC=CC1=NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[O-]

Isomeric SMILES

C[C@@H](C(=O)N)OC(=C1C=CC=CC1=NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H14ClN3O7S/c1-9(15(18)21)27-16(22)11-4-2-3-5-13(11)19-28(25,26)10-6-7-12(17)14(8-10)20(23)24/h2-9,22H,1H3,(H2,18,21)/p-1/t9-/m0/s1