1-[2-(4-aminophenyl)-2-oxidanyl-ethyl]azepane-2,7-dione

Systemtic Name: 1-[2-(4-aminophenyl)-2-oxidanyl-ethyl]azepane-2,7-dione Openeye Name: 1-[2-(4-aminophenyl)-2-hydroxy-ethyl]azepane-2,7-dione CAS Name: 1-[2-(4-aminophenyl)-2-hydroxyethyl]azepane-2,7-dione IUPAC Name: 1-[2-(4-aminophenyl)-2-hydroxyethyl]azepane-2,7-dione Traditional Name: 1-[2-(4-aminophenyl)-2-hydroxy-ethyl]azepane-2,7-quinone Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c15-11-7-5-10(6-8-11)12(17)9-16-13(18)3-1-2-4-14(16)19/h5-8,12,17H,1-4,9,15H2