3-[(4-chlorophenyl)carbonylamino]propyl 4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxylate

Systemtic Name: 3-[(4-chlorophenyl)carbonylamino]propyl 4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-carboxylate Openeye Name: 3-[(4-chlorobenzoyl)amino]propyl 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylate CAS Name: 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylic acid 3-[[(4-chlorophenyl)-oxomethyl]amino]propyl ester IUPAC Name: 3-[(4-chlorobenzoyl)amino]propyl 4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxylate Traditional Name: 4-methyl-5-oxido-furazan-5-ium-3-carboxylic acid 3-[(4-chlorobenzoyl)amino]propyl ester Formula: C14H14ClN3O5 MolecularWeight: 339.73106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](ON=C1C(=O)OCCCNC(=O)C2=CC=C(C=C2)Cl)[O-]

Isomeric SMILES

CC1=[N+](ON=C1C(=O)OCCCNC(=O)C2=CC=C(C=C2)Cl)[O-]

InChI

InChI=1S/C14H14ClN3O5/c1-9-12(17-23-18(9)21)14(20)22-8-2-7-16-13(19)10-3-5-11(15)6-4-10/h3-6H,2,7-8H2,1H3,(H,16,19)