2-acetamidoethanoic acid; 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide

Systemtic Name: 2-acetamidoethanoic acid; 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide Openeye Name: 2-acetamidoacetic acid; 4-[2-(4-carbamimidoylphenyl)iminohydrazino]benzamidine CAS Name: 2-acetamidoacetic acid; 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide IUPAC Name: 2-acetamidoacetic acid; 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide Traditional Name: 2-acetamidoacetic acid; 4-[N'-(4-amidinophenyl)iminohydrazino]benzamidine Formula: C22H29N9O6 MolecularWeight: 515.52236

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C14H15N7.2C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;2*1-3(6)5-2-4(7)8/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);2*2H2,1H3,(H,5,6)(H,7,8)