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

Systemtic Name: 1,2-dimethyl-8-nitro-5-oxidanidyl-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 1,2-dimethyl-8-nitro-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 1,2-dimethyl-8-nitro-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 1,2-dimethyl-8-nitro-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 1,2-dimethyl-8-nitro-5-oxido-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=N1)C[N+](=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4)[O-])C

Isomeric SMILES

CC1=C(N2C(=N1)C[N+](=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4)[O-])C

InChI

InChI=1S/C19H16N4O3/c1-12-13(2)22-17-9-8-15(23(25)26)10-16(17)19(14-6-4-3-5-7-14)21(24)11-18(22)20-12/h3-10H,11H2,1-2H3