N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(4-methylphenyl)-3,5-dinitro-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-(4-methylphenyl)-3,5-dinitro-benzamide Openeye Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,5-dinitro-N-(p-tolyl)benzamide CAS Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)-3,5-dinitrobenzamide IUPAC Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)-3,5-dinitrobenzamide Traditional Name: N-(1,1-diketo-2,3-dihydrothiophen-3-yl)-3,5-dinitro-N-(p-tolyl)benzamide Formula: C18H15N3O7S MolecularWeight: 417.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O7S/c1-12-2-4-14(5-3-12)19(15-6-7-29(27,28)11-15)18(22)13-8-16(20(23)24)10-17(9-13)21(25)26/h2-10,15H,11H2,1H3