1-[(4-nitrophenyl)methyl]-1-oxidanidyl-2-oxidanylidene-3-(phenylmethyl)-2$l^{4},1,3-benzothiadiazin-1-ium-4-one

Systemtic Name: 1-[(4-nitrophenyl)methyl]-1-oxidanidyl-2-oxidanylidene-3-(phenylmethyl)-2$l^{4},1,3-benzothiadiazin-1-ium-4-one Openeye Name: 3-benzyl-1-[(4-nitrophenyl)methyl]-1-oxido-2-oxo-2$l^{4},1,3-benzothiadiazin-1-ium-4-one CAS Name: 1-[(4-nitrophenyl)methyl]-1-oxido-2-oxo-3-(phenylmethyl)-2$l^{4},1,3-benzothiadiazin-1-ium-4-one IUPAC Name: 3-benzyl-1-[(4-nitrophenyl)methyl]-1-oxido-2-oxo-2$l^{4},1,3-benzothiadiazin-1-ium-4-one Traditional Name: 3-benzyl-2-keto-1-(4-nitrobenzyl)-1-oxido-2$l^{4},1,3-benzothiadiazin-1-ium-4-one Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3[N+](S2=O)(CC4=CC=C(C=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3[N+](S2=O)(CC4=CC=C(C=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H17N3O5S/c25-21-19-8-4-5-9-20(19)24(28,15-17-10-12-18(13-11-17)23(26)27)30(29)22(21)14-16-6-2-1-3-7-16/h1-13H,14-15H2