5-carbamimidoyl-N-[3-(dioxidanyl)cyclohexa-1,5-dien-1-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-carbamimidoyl-N-[3-(dioxidanyl)cyclohexa-1,5-dien-1-yl]-1-benzofuran-2-carboxamide Openeye Name: 5-carbamimidoyl-N-(3-hydroperoxycyclohexa-1,5-dien-1-yl)benzofuran-2-carboxamide CAS Name: 5-carbamimidoyl-N-(3-hydroperoxy-1-cyclohexa-1,5-dienyl)-2-benzofurancarboxamide IUPAC Name: 5-carbamimidoyl-N-(3-hydroperoxycyclohexa-1,5-dien-1-yl)-1-benzofuran-2-carboxamide Traditional Name: 5-amidino-N-(3-hydroperoxycyclohexa-1,5-dien-1-yl)coumarilamide Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=CC1OO)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

C1C=CC(=CC1OO)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C16H15N3O4/c17-15(18)9-4-5-13-10(6-9)7-14(22-13)16(20)19-11-2-1-3-12(8-11)23-21/h1-2,4-8,12,21H,3H2,(H3,17,18)(H,19,20)