(3S)-8-methoxy-3-methyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

Systemtic Name: (3S)-8-methoxy-3-methyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Openeye Name: (3S)-8-methoxy-3-methyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one CAS Name: (3S)-8-methoxy-3-methyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one IUPAC Name: (3S)-8-methoxy-3-methyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Traditional Name: (3S)-8-methoxy-3-methyl-9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Formula: C11H13N3O4 MolecularWeight: 251.23862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C(C=CC(=C2[N+](=O)[O-])OC)C(=O)N1

Isomeric SMILES

C[C@H]1CNC2=C(C=CC(=C2[N+](=O)[O-])OC)C(=O)N1

InChI

InChI=1S/C11H13N3O4/c1-6-5-12-9-7(11(15)13-6)3-4-8(18-2)10(9)14(16)17/h3-4,6,12H,5H2,1-2H3,(H,13,15)/t6-/m0/s1