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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3,4-dimethylphenyl)-4-nitro-benzamide Openeye Name: N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-4-nitro-benzamide CAS Name: N-(3,4-dimethylphenyl)-N-(1,1-dioxo-3-thiolanyl)-4-nitrobenzamide IUPAC Name: N-(3,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)-4-nitrobenzamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-(3,4-dimethylphenyl)-4-nitro-benzamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C2CCS(=O)(=O)C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C2CCS(=O)(=O)C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N2O5S/c1-13-3-6-17(11-14(13)2)20(18-9-10-27(25,26)12-18)19(22)15-4-7-16(8-5-15)21(23)24/h3-8,11,18H,9-10,12H2,1-2H3