N-[(4-bromanyl-3-nitro-phenyl)methyl]-3-methyl-1,1-bis(oxidanylidene)thiolan-3-amine

Systemtic Name: N-[(4-bromanyl-3-nitro-phenyl)methyl]-3-methyl-1,1-bis(oxidanylidene)thiolan-3-amine Openeye Name: N-[(4-bromo-3-nitro-phenyl)methyl]-3-methyl-1,1-dioxo-thiolan-3-amine CAS Name: N-[(4-bromo-3-nitrophenyl)methyl]-3-methyl-1,1-dioxo-3-thiolanamine IUPAC Name: N-[(4-bromo-3-nitrophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine Traditional Name: (4-bromo-3-nitro-benzyl)-(1,1-diketo-3-methyl-thiolan-3-yl)amine Formula: C12H15BrN2O4S MolecularWeight: 363.2275

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H15BrN2O4S/c1-12(4-5-20(18,19)8-12)14-7-9-2-3-10(13)11(6-9)15(16)17/h2-3,6,14H,4-5,7-8H2,1H3