8-nitro-5-oxidanidyl-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium

Systemtic Name: 8-nitro-5-oxidanidyl-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 8-nitro-5-oxido-6-(2-thienyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 8-nitro-5-oxido-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 8-nitro-5-oxido-6-thiophen-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 8-nitro-5-oxido-6-(2-thienyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C15H10N4O3S MolecularWeight: 326.3299

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NC=CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=[N+]1[O-])C4=CC=CS4

Isomeric SMILES

C1C2=NC=CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=[N+]1[O-])C4=CC=CS4

InChI

InChI=1S/C15H10N4O3S/c20-18-9-14-16-5-6-17(14)12-4-3-10(19(21)22)8-11(12)15(18)13-2-1-7-23-13/h1-8H,9H2