(4S)-5-ethanoyl-4-methyl-7-nitro-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-5-ethanoyl-4-methyl-7-nitro-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-acetyl-4-methyl-7-nitro-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-5-acetyl-4-methyl-7-nitro-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-5-acetyl-4-methyl-7-nitro-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-acetyl-4-methyl-7-nitro-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(N1C(=O)C)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CC(=O)NC2=C(N1C(=O)C)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4/c1-7-5-12(17)13-10-4-3-9(15(18)19)6-11(10)14(7)8(2)16/h3-4,6-7H,5H2,1-2H3,(H,13,17)/t7-/m0/s1