2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl 4-nitrobenzoate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl 4-nitrobenzoate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]ethyl ester Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S/c20-16(11-5-7-12(8-6-11)19(21)22)25-10-9-17-15-13-3-1-2-4-14(13)26(23,24)18-15/h1-8H,9-10H2,(H,17,18)