4-(3-carboxy-4-chloranyl-phenyl)-1,4-diazepane-1-carboxylic acid

Systemtic Name: 4-(3-carboxy-4-chloranyl-phenyl)-1,4-diazepane-1-carboxylic acid Openeye Name: 4-(3-carboxy-4-chloro-phenyl)-1,4-diazepane-1-carboxylic acid CAS Name: 4-(3-carboxy-4-chlorophenyl)-1,4-diazepane-1-carboxylic acid IUPAC Name: 4-(3-carboxy-4-chlorophenyl)-1,4-diazepane-1-carboxylic acid Traditional Name: 4-(3-carboxy-4-chloro-phenyl)-1,4-diazepane-1-carboxylic acid Formula: C13H15ClN2O4 MolecularWeight: 298.7222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)O)C2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN(C1)C(=O)O)C2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H15ClN2O4/c14-11-3-2-9(8-10(11)12(17)18)15-4-1-5-16(7-6-15)13(19)20/h2-3,8H,1,4-7H2,(H,17,18)(H,19,20)