(3S)-3,6-dimethyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

Systemtic Name: (3S)-3,6-dimethyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Openeye Name: (3S)-3,6-dimethyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one CAS Name: (3S)-3,6-dimethyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one IUPAC Name: (3S)-3,6-dimethyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Traditional Name: (3S)-3,6-dimethyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Formula: C11H13N3O3 MolecularWeight: 235.23922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C(C=CC(=C2C(=O)N1)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CNC2=C(C=CC(=C2C(=O)N1)C)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O3/c1-6-3-4-8(14(16)17)10-9(6)11(15)13-7(2)5-12-10/h3-4,7,12H,5H2,1-2H3,(H,13,15)/t7-/m0/s1