5-[(4-chlorophenyl)carbonylamino]-2-(3-oxidanylidenepiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(4-chlorophenyl)carbonylamino]-2-(3-oxidanylidenepiperazin-1-yl)benzoic acid Openeye Name: 5-[(4-chlorobenzoyl)amino]-2-(3-oxopiperazin-1-yl)benzoic acid CAS Name: 5-[[(4-chlorophenyl)-oxomethyl]amino]-2-(3-oxo-1-piperazinyl)benzoic acid IUPAC Name: 5-[(4-chlorobenzoyl)amino]-2-(3-oxopiperazin-1-yl)benzoic acid Traditional Name: 5-[(4-chlorobenzoyl)amino]-2-(3-ketopiperazino)benzoic acid Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H16ClN3O4/c19-12-3-1-11(2-4-12)17(24)21-13-5-6-15(14(9-13)18(25)26)22-8-7-20-16(23)10-22/h1-6,9H,7-8,10H2,(H,20,23)(H,21,24)(H,25,26)