1-(chloromethyl)-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-one

Systemtic Name: 1-(chloromethyl)-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-one Openeye Name: 1-(chloromethyl)-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-one CAS Name: 1-(chloromethyl)-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-one IUPAC Name: 1-(chloromethyl)-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-one Traditional Name: 1-(chloromethyl)-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-one Formula: C17H12ClN5O3 MolecularWeight: 369.76188

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=C(N2C3=C(C=C(C=C3)[N+](=O)[O-])N(C1=O)C4=CC=CC=C4)CCl

Isomeric SMILES

C1C2=NN=C(N2C3=C(C=C(C=C3)[N+](=O)[O-])N(C1=O)C4=CC=CC=C4)CCl

InChI

InChI=1S/C17H12ClN5O3/c18-10-16-20-19-15-9-17(24)21(11-4-2-1-3-5-11)14-8-12(23(25)26)6-7-13(14)22(15)16/h1-8H,9-10H2