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

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butyl 4-nitrobenzoate Openeye Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butyl ester IUPAC Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]butyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6S/c22-18(13-7-9-14(10-8-13)21(23)24)27-12-4-3-11-19-17-15-5-1-2-6-16(15)28(25,26)20-17/h1-2,5-10H,3-4,11-12H2,(H,19,20)