9-chloranyl-6-oxidanidyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-6-ium-3-one

Systemtic Name: 9-chloranyl-6-oxidanidyl-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-6-ium-3-one Openeye Name: 9-chloro-6-oxido-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-6-ium-3-one CAS Name: 9-chloro-6-oxido-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-6-ium-3-one IUPAC Name: 9-chloro-6-oxido-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-6-ium-3-one Traditional Name: 9-chloro-6-oxido-7-phenyl-5H-pyrimido[1,2-a][1,4]benzodiazepin-6-ium-3-one Formula: C18H12ClN3O2 MolecularWeight: 337.75978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O2/c19-13-6-7-15-14(10-13)18(12-4-2-1-3-5-12)22(24)11-16-20-17(23)8-9-21(15)16/h1-10H,11H2