2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]ethyl 3-methyl-4-nitro-benzoate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]ethyl 3-methyl-4-nitro-benzoate Openeye Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl ester IUPAC Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid 2-(N-(1,1-diketo-1,2-benzothiazol-3-yl)anilino)ethyl ester Formula: C23H19N3O6S MolecularWeight: 465.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCCN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCCN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O6S/c1-16-15-17(11-12-20(16)26(28)29)23(27)32-14-13-25(18-7-3-2-4-8-18)22-19-9-5-6-10-21(19)33(30,31)24-22/h2-12,15H,13-14H2,1H3