3-[[1-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-5-phenyl-1,4-benzodiazepin-2-one

Systemtic Name: 3-[[1-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-5-phenyl-1,4-benzodiazepin-2-one Openeye Name: 3-[[1-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-5-phenyl-1,4-benzodiazepin-2-one CAS Name: 3-[[1-(2,4-dinitrophenyl)-4-imidazolyl]methyl]-5-phenyl-1,4-benzodiazepin-2-one IUPAC Name: 3-[[1-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-5-phenyl-1,4-benzodiazepin-2-one Traditional Name: 3-[[1-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-5-phenyl-1,4-benzodiazepin-2-one Formula: C25H16N6O5 MolecularWeight: 480.43174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=O)C(=N2)CC4=CN(C=N4)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=O)C(=N2)CC4=CN(C=N4)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H16N6O5/c32-25-21(27-24(16-6-2-1-3-7-16)19-8-4-5-9-20(19)28-25)12-17-14-29(15-26-17)22-11-10-18(30(33)34)13-23(22)31(35)36/h1-11,13-15H,12H2