(4S)-5-(3-bromanylpropanoyl)-1,4-dimethyl-7-nitro-3,4-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-5-(3-bromanylpropanoyl)-1,4-dimethyl-7-nitro-3,4-dihydro-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-(3-bromopropanoyl)-1,4-dimethyl-7-nitro-3,4-dihydro-1,5-benzodiazepin-2-one CAS Name: (4S)-5-(3-bromo-1-oxopropyl)-1,4-dimethyl-7-nitro-3,4-dihydro-1,5-benzodiazepin-2-one IUPAC Name: (4S)-5-(3-bromopropanoyl)-1,4-dimethyl-7-nitro-3,4-dihydro-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-(3-bromopropanoyl)-1,4-dimethyl-7-nitro-3,4-dihydro-1,5-benzodiazepin-2-one Formula: C14H16BrN3O4 MolecularWeight: 370.19854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C2=C(N1C(=O)CCBr)C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CC(=O)N(C2=C(N1C(=O)CCBr)C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H16BrN3O4/c1-9-7-14(20)16(2)11-4-3-10(18(21)22)8-12(11)17(9)13(19)5-6-15/h3-4,8-9H,5-7H2,1-2H3/t9-/m0/s1