N4,N9-bis[bis(azanyl)methylidene]-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide dihydrochloride

Systemtic Name: N4,N9-bis[bis(azanyl)methylidene]-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide dihydrochloride Openeye Name: N4,N9-bis(diaminomethylene)-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide dihydrochloride CAS Name: N4,N9-bis(diaminomethylidene)-2,3-dihydro-1-benzoxepin-4,9-dicarboxamide dihydrochloride IUPAC Name: 4-N,9-N-bis(diaminomethylidene)-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide dihydrochloride Traditional Name: N,N'-bis(diaminomethylene)-2,3-dihydro-1-benzoxepin-4,9-dicarboxamide dihydrochloride Formula: C14H18Cl2N6O3 MolecularWeight: 389.23712

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2C(=O)N=C(N)N)C=C1C(=O)N=C(N)N.Cl.Cl

Isomeric SMILES

C1COC2=C(C=CC=C2C(=O)N=C(N)N)C=C1C(=O)N=C(N)N.Cl.Cl

InChI

InChI=1S/C14H16N6O3.2ClH/c15-13(16)19-11(21)8-4-5-23-10-7(6-8)2-1-3-9(10)12(22)20-14(17)18;;/h1-3,6H,4-5H2,(H4,15,16,19,21)(H4,17,18,20,22);2*1H