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

Systemtic Name: N-[bis(azanyl)methylidene]-9-oxidanyl-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride Openeye Name: N-(diaminomethylene)-9-hydroxy-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride CAS Name: N-(diaminomethylidene)-9-hydroxy-2,3-dihydro-1-benzoxepin-4-carboxamide hydrochloride IUPAC Name: N-(diaminomethylidene)-9-hydroxy-2,3-dihydro-1-benzoxepine-4-carboxamide hydrochloride Traditional Name: N-(diaminomethylene)-9-hydroxy-2,3-dihydro-1-benzoxepin-4-carboxamide hydrochloride Formula: C12H14ClN3O3 MolecularWeight: 283.71086

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2O)C=C1C(=O)N=C(N)N.Cl

Isomeric SMILES

C1COC2=C(C=CC=C2O)C=C1C(=O)N=C(N)N.Cl

InChI

InChI=1S/C12H13N3O3.ClH/c13-12(14)15-11(17)8-4-5-18-10-7(6-8)2-1-3-9(10)16;/h1-3,6,16H,4-5H2,(H4,13,14,15,17);1H