N-[bis(azanyl)methylidene]-3-bromanyl-5-ethanoyl-4-phenylmethoxy-benzamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-3-bromanyl-5-ethanoyl-4-phenylmethoxy-benzamide hydrochloride Openeye Name: 3-acetyl-4-benzyloxy-5-bromo-N-(diaminomethylene)benzamide hydrochloride CAS Name: 3-acetyl-5-bromo-N-(diaminomethylidene)-4-phenylmethoxybenzamide hydrochloride IUPAC Name: 3-acetyl-5-bromo-N-(diaminomethylidene)-4-phenylmethoxybenzamide hydrochloride Traditional Name: 3-acetyl-4-benzoxy-5-bromo-N-(diaminomethylene)benzamide hydrochloride Formula: C17H17BrClN3O3 MolecularWeight: 426.69218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CC(=C1)C(=O)N=C(N)N)Br)OCC2=CC=CC=C2.Cl

Isomeric SMILES

CC(=O)C1=C(C(=CC(=C1)C(=O)N=C(N)N)Br)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C17H16BrN3O3.ClH/c1-10(22)13-7-12(16(23)21-17(19)20)8-14(18)15(13)24-9-11-5-3-2-4-6-11;/h2-8H,9H2,1H3,(H4,19,20,21,23);1H