1-(3-azanyl-4-chloranyl-phenyl)azepane-2,7-dione

Systemtic Name: 1-(3-azanyl-4-chloranyl-phenyl)azepane-2,7-dione Openeye Name: 1-(3-amino-4-chloro-phenyl)azepane-2,7-dione CAS Name: 1-(3-amino-4-chlorophenyl)azepane-2,7-dione IUPAC Name: 1-(3-amino-4-chlorophenyl)azepane-2,7-dione Traditional Name: 1-(3-amino-4-chloro-phenyl)azepane-2,7-quinone Formula: C12H13ClN2O2 MolecularWeight: 252.69682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C12H13ClN2O2/c13-9-6-5-8(7-10(9)14)15-11(16)3-1-2-4-12(15)17/h5-7H,1-4,14H2