2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]ethyl 3-nitrobenzoate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]ethyl 3-nitrobenzoate Openeye Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl 3-nitrobenzoate CAS Name: 3-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-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 2-(N-(1,1-diketo-1,2-benzothiazol-3-yl)anilino)ethyl ester Formula: C22H17N3O6S MolecularWeight: 451.45188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O6S/c26-22(16-7-6-10-18(15-16)25(27)28)31-14-13-24(17-8-2-1-3-9-17)21-19-11-4-5-12-20(19)32(29,30)23-21/h1-12,15H,13-14H2