(3S)-8-bromanyl-1-ethanoyl-3-methyl-6-nitro-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Systemtic Name: (3S)-8-bromanyl-1-ethanoyl-3-methyl-6-nitro-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: (3S)-1-acetyl-8-bromo-3-methyl-6-nitro-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: (3S)-1-acetyl-8-bromo-3-methyl-6-nitro-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: (3S)-1-acetyl-8-bromo-3-methyl-6-nitro-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: (3S)-1-acetyl-8-bromo-3-methyl-6-nitro-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C12H12BrN3O4 MolecularWeight: 342.14538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC(=CC(=C2NC1=O)[N+](=O)[O-])Br)C(=O)C

Isomeric SMILES

C[C@H]1CN(C2=CC(=CC(=C2NC1=O)[N+](=O)[O-])Br)C(=O)C

InChI

InChI=1S/C12H12BrN3O4/c1-6-5-15(7(2)17)9-3-8(13)4-10(16(19)20)11(9)14-12(6)18/h3-4,6H,5H2,1-2H3,(H,14,18)/t6-/m0/s1