(4S)-4-methyl-7-nitro-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde

Systemtic Name: (4S)-4-methyl-7-nitro-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde Openeye Name: (4S)-4-methyl-7-nitro-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde CAS Name: (4S)-4-methyl-7-nitro-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxaldehyde IUPAC Name: (4S)-4-methyl-7-nitro-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde Traditional Name: (4S)-2-keto-4-methyl-7-nitro-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde Formula: C11H11N3O4 MolecularWeight: 249.22274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4/c1-7-4-11(16)12-9-3-2-8(14(17)18)5-10(9)13(7)6-15/h2-3,5-7H,4H2,1H3,(H,12,16)/t7-/m0/s1