N-[bis(azanyl)methylidene]-9-(hydroxymethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-9-(hydroxymethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-(diaminomethylene)-9-(hydroxymethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-(diaminomethylidene)-9-(hydroxymethyl)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-(diaminomethylidene)-9-(hydroxymethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-(diaminomethylene)-9-methylol-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2CO)C=C1C(=O)N=C(N)N

Isomeric SMILES

C1COC2=C(C=CC=C2CO)C=C1C(=O)N=C(N)N

InChI

InChI=1S/C13H15N3O3/c14-13(15)16-12(18)9-4-5-19-11-8(6-9)2-1-3-10(11)7-17/h1-3,6,17H,4-5,7H2,(H4,14,15,16,18)