N-[2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl]-3-nitro-benzamide Openeye Name: N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl]-3-nitro-benzamide CAS Name: N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]ethyl]-3-nitro-benzamide Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O5S/c21-16(11-4-3-5-12(10-11)20(22)23)18-9-8-17-15-13-6-1-2-7-14(13)26(24,25)19-15/h1-7,10H,8-9H2,(H,17,19)(H,18,21)