4-(5-oxidanylidene-1,4-diazepan-1-yl)benzoic acid

Systemtic Name: 4-(5-oxidanylidene-1,4-diazepan-1-yl)benzoic acid Openeye Name: 4-(5-oxo-1,4-diazepan-1-yl)benzoic acid CAS Name: 4-(5-oxo-1,4-diazepan-1-yl)benzoic acid IUPAC Name: 4-(5-oxo-1,4-diazepan-1-yl)benzoic acid Traditional Name: 4-(5-keto-1,4-diazepan-1-yl)benzoic acid Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC1=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CN(CCNC1=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H14N2O3/c15-11-5-7-14(8-6-13-11)10-3-1-9(2-4-10)12(16)17/h1-4H,5-8H2,(H,13,15)(H,16,17)