2-acetamidoethanoic acid; 4-[(E)-[(4-carbamimidoylphenyl)hydrazinylidene]methyl]benzenecarboximidamide

Systemtic Name: 2-acetamidoethanoic acid; 4-[(E)-[(4-carbamimidoylphenyl)hydrazinylidene]methyl]benzenecarboximidamide Openeye Name: 2-acetamidoacetic acid; 4-[(E)-[(4-carbamimidoylphenyl)hydrazono]methyl]benzamidine CAS Name: 2-acetamidoacetic acid; 4-[(E)-[(4-carbamimidoylphenyl)hydrazinylidene]methyl]benzenecarboximidamide IUPAC Name: 2-acetamidoacetic acid; 4-[(E)-[(4-carbamimidoylphenyl)hydrazinylidene]methyl]benzenecarboximidamide Traditional Name: 2-acetamidoacetic acid; 4-[(E)-[(4-amidinophenyl)hydrazono]methyl]benzamidine Formula: C23H30N8O6 MolecularWeight: 514.5343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.C1=CC(=CC=C1C=NNC2=CC=C(C=C2)C(=N)N)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C15H16N6.2C4H7NO3/c16-14(17)11-3-1-10(2-4-11)9-20-21-13-7-5-12(6-8-13)15(18)19;2*1-3(6)5-2-4(7)8/h1-9,21H,(H3,16,17)(H3,18,19);2*2H2,1H3,(H,5,6)(H,7,8)/b20-9+;;