N-[bis(azanyl)methylidene]-9-(methoxymethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-9-(methoxymethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-9-(methoxymethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-9-(methoxymethyl)-2,3-dihydro-1-benzoxepin-4-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-9-(methoxymethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-9-(methoxymethyl)-2,3-dihydro-1-benzoxepin-4-carboxamide; mesylic acid Formula: C15H21N3O6S MolecularWeight: 371.40874

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

COCC1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C14H17N3O3.CH4O3S/c1-19-8-11-4-2-3-9-7-10(5-6-20-12(9)11)13(18)17-14(15)16;1-5(2,3)4/h2-4,7H,5-6,8H2,1H3,(H4,15,16,17,18);1H3,(H,2,3,4)