[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxidanylidene-butan-2-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxidanylidene-butan-2-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-1-methyl-2-oxo-propyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxobutan-2-yl] ester IUPAC Name: [(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxobutan-2-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-1-methyl-propyl] ester Formula: C19H12ClN3O5S MolecularWeight: 429.83368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2S1)C#N)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C(=O)/C(=C/1\NC2=CC=CC=C2S1)/C#N)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H12ClN3O5S/c1-10(28-19(25)12-8-11(23(26)27)6-7-14(12)20)17(24)13(9-21)18-22-15-4-2-3-5-16(15)29-18/h2-8,10,22H,1H3/b18-13+