N4-[bis(azanyl)methylidene]-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide; methanesulfonic acid

Systemtic Name: N4-[bis(azanyl)methylidene]-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide; methanesulfonic acid Openeye Name: N4-(diaminomethylene)-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide; methanesulfonic acid CAS Name: N4-(diaminomethylidene)-2,3-dihydro-1-benzoxepin-4,9-dicarboxamide; methanesulfonic acid IUPAC Name: 4-N-(diaminomethylidene)-2,3-dihydro-1-benzoxepine-4,9-dicarboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-2,3-dihydro-1-benzoxepin-4,9-dicarboxamide; mesylic acid Formula: C14H18N4O6S MolecularWeight: 370.38092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3.CH4O3S/c14-11(18)9-3-1-2-7-6-8(4-5-20-10(7)9)12(19)17-13(15)16;1-5(2,3)4/h1-3,6H,4-5H2,(H2,14,18)(H4,15,16,17,19);1H3,(H,2,3,4)