ethyl 7-chloranyl-5-(2-fluorophenyl)-1-(methylcarbamoyl)-2-oxidanylidene-3H-1,2-benzodiazepin-2-ium-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-5-(2-fluorophenyl)-1-(methylcarbamoyl)-2-oxidanylidene-3H-1,2-benzodiazepin-2-ium-3-carboxylate Openeye Name: ethyl 7-chloro-5-(2-fluorophenyl)-1-(methylcarbamoyl)-2-oxo-3H-1,2-benzodiazepin-2-ium-3-carboxylate CAS Name: 7-chloro-5-(2-fluorophenyl)-1-(methylcarbamoyl)-2-oxo-3H-1,2-benzodiazepin-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-5-(2-fluorophenyl)-1-(methylcarbamoyl)-2-oxo-3H-1,2-benzodiazepin-2-ium-3-carboxylate Traditional Name: 7-chloro-5-(2-fluorophenyl)-2-keto-1-(methylcarbamoyl)-3H-1,2-benzodiazepin-2-ium-3-carboxylic acid ethyl ester Formula: C20H18ClFN3O4+ MolecularWeight: 418.826023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C=C(C2=C(C=CC(=C2)Cl)N([N+]1=O)C(=O)NC)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1C=C(C2=C(C=CC(=C2)Cl)N([N+]1=O)C(=O)NC)C3=CC=CC=C3F

InChI

InChI=1S/C20H17ClFN3O4/c1-3-29-19(26)18-11-14(13-6-4-5-7-16(13)22)15-10-12(21)8-9-17(15)24(25(18)28)20(27)23-2/h4-11,18H,3H2,1-2H3/p+1