7-chloranyl-1-(2-hydroxyethyl)-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one

Systemtic Name: 7-chloranyl-1-(2-hydroxyethyl)-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one Openeye Name: 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one CAS Name: 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one IUPAC Name: 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one Traditional Name: 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one Formula: C17H15ClN2O3 MolecularWeight: 330.7656

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)CCO

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)CCO

InChI

InChI=1S/C17H15ClN2O3/c18-13-6-7-15-14(10-13)17(12-4-2-1-3-5-12)20(23)11-16(22)19(15)8-9-21/h1-7,10,21H,8-9,11H2