7-nitro-5-(2,3,4,5,6-pentadeuteriophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7-nitro-5-(2,3,4,5,6-pentadeuteriophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7-nitro-5-(2,3,4,5,6-pentadeuteriophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7-nitro-5-(2,3,4,5,6-pentadeuteriophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7-nitro-5-(2,3,4,5,6-pentadeuteriophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7-nitro-5-(2,3,4,5,6-pentadeuteriophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C15H11N3O3 MolecularWeight: 286.296949

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=NCC(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])[2H])[2H]

InChI

InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)/i1D,2D,3D,4D,5D