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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 3-nitrobenzoate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl ester IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O6S/c21-17(12-5-3-6-13(11-12)20(22)23)26-10-4-9-18-16-14-7-1-2-8-15(14)27(24,25)19-16/h1-3,5-8,11H,4,9-10H2,(H,18,19)