N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide; ethanoic acid

Systemtic Name: N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide; ethanoic acid Openeye Name: acetic acid; N-[[2-(2-amino-2-oxo-ethoxy)-4-carbamimidoyl-phenyl]methyl]-5-methyl-isoxazole-3-carboxamide CAS Name: acetic acid; N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-5-methyl-3-isoxazolecarboxamide IUPAC Name: acetic acid; N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: acetic acid; N-[4-amidino-2-(2-amino-2-keto-ethoxy)benzyl]-5-methyl-isoxazole-3-carboxamide Formula: C17H21N5O6 MolecularWeight: 391.37854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)N.CC(=O)O

Isomeric SMILES

CC1=CC(=NO1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)N.CC(=O)O

InChI

InChI=1S/C15H17N5O4.C2H4O2/c1-8-4-11(20-24-8)15(22)19-6-10-3-2-9(14(17)18)5-12(10)23-7-13(16)21;1-2(3)4/h2-5H,6-7H2,1H3,(H2,16,21)(H3,17,18)(H,19,22);1H3,(H,3,4)