8-chloranyl-5-oxidanidyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-5-ium-3-carboxylic acid

Systemtic Name: 8-chloranyl-5-oxidanidyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-5-ium-3-carboxylic acid Openeye Name: 8-chloro-5-oxido-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-5-ium-3-carboxylic acid CAS Name: 8-chloro-5-oxido-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-5-ium-3-carboxylic acid IUPAC Name: 8-chloro-5-oxido-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-5-ium-3-carboxylic acid Traditional Name: 8-chloro-5-oxido-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-5-ium-3-carboxylic acid Formula: C18H12ClN3O3 MolecularWeight: 353.75918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O3/c19-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)22(25)9-15-16(18(23)24)20-10-21(14)15/h1-8,10H,9H2,(H,23,24)