N-[bis(azanyl)methylidene]-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-2,3-dihydro-1-benzoxepin-4-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-2,3-dihydro-1-benzoxepin-4-carboxamide; mesylic acid Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2.CH4O3S/c13-12(14)15-11(16)9-5-6-17-10-4-2-1-3-8(10)7-9;1-5(2,3)4/h1-4,7H,5-6H2,(H4,13,14,15,16);1H3,(H,2,3,4)