6-[2-(3-methoxy-4-oxidanyl-phenyl)ethylamino]-1H-benzimidazole-4,7-dione

Systemtic Name: 6-[2-(3-methoxy-4-oxidanyl-phenyl)ethylamino]-1H-benzimidazole-4,7-dione Openeye Name: 6-[2-(4-hydroxy-3-methoxy-phenyl)ethylamino]-1H-benzimidazole-4,7-dione CAS Name: 6-[2-(4-hydroxy-3-methoxyphenyl)ethylamino]-1H-benzimidazole-4,7-dione IUPAC Name: 6-[2-(4-hydroxy-3-methoxyphenyl)ethylamino]-1H-benzimidazole-4,7-dione Traditional Name: 6-(homovanillylamino)-1H-benzimidazole-4,7-quinone Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNC2=CC(=O)C3=C(C2=O)NC=N3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCNC2=CC(=O)C3=C(C2=O)NC=N3)O

InChI

InChI=1S/C16H15N3O4/c1-23-13-6-9(2-3-11(13)20)4-5-17-10-7-12(21)14-15(16(10)22)19-8-18-14/h2-3,6-8,17,20H,4-5H2,1H3,(H,18,19)