N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-nitro-4-phenylazanyl-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-nitro-4-phenylazanyl-benzamide Openeye Name: 4-anilino-N-(1,1-dioxothiolan-3-yl)-3-nitro-benzamide CAS Name: 4-anilino-N-(1,1-dioxo-3-thiolanyl)-3-nitrobenzamide IUPAC Name: 4-anilino-N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide Traditional Name: 4-anilino-N-(1,1-diketothiolan-3-yl)-3-nitro-benzamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c21-17(19-14-8-9-26(24,25)11-14)12-6-7-15(16(10-12)20(22)23)18-13-4-2-1-3-5-13/h1-7,10,14,18H,8-9,11H2,(H,19,21)