3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]methyl]-5-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]methyl]-5-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]methyl]-5-nitro-1,3-benzoxazol-2-one CAS Name: 3-[[cyclopropyl-(1,1-dioxo-3-thiolanyl)amino]methyl]-5-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]methyl]-5-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[[cyclopropyl-(1,1-diketothiolan-3-yl)amino]methyl]-5-nitro-1,3-benzoxazol-2-one Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)C4CCS(=O)(=O)C4

Isomeric SMILES

C1CC1N(CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)C4CCS(=O)(=O)C4

InChI

InChI=1S/C15H17N3O6S/c19-15-17(13-7-11(18(20)21)3-4-14(13)24-15)9-16(10-1-2-10)12-5-6-25(22,23)8-12/h3-4,7,10,12H,1-2,5-6,8-9H2