4-(5-oxidanylidene-1,4-diazepan-1-yl)benzoate

Systemtic Name: 4-(5-oxidanylidene-1,4-diazepan-1-yl)benzoate Openeye Name: 4-(5-oxo-1,4-diazepan-1-yl)benzoate CAS Name: 4-(5-oxo-1,4-diazepan-1-yl)benzoate IUPAC Name: 4-(5-oxo-1,4-diazepan-1-yl)benzoate Traditional Name: 4-(5-keto-1,4-diazepan-1-yl)benzoate Formula: C12H13N2O3- MolecularWeight: 233.24322

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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)/p-1