3,3-dimethyl-9-nitro-2,4-dihydro-1H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one

Systemtic Name: 3,3-dimethyl-9-nitro-2,4-dihydro-1H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one Openeye Name: 3,3-dimethyl-9-nitro-2,4-dihydro-1H-benzothiopheno[3,2-e][1,4]diazepin-5-one CAS Name: 3,3-dimethyl-9-nitro-2,4-dihydro-1H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one IUPAC Name: 3,3-dimethyl-9-nitro-2,4-dihydro-1H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one Traditional Name: 3,3-dimethyl-9-nitro-2,4-dihydro-1H-benzothiopheno[3,2-e][1,4]diazepin-5-one Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC2=C(C(=O)N1)SC3=C2C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CNC2=C(C(=O)N1)SC3=C2C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C13H13N3O3S/c1-13(2)6-14-10-8-5-7(16(18)19)3-4-9(8)20-11(10)12(17)15-13/h3-5,14H,6H2,1-2H3,(H,15,17)