2-[2-[(E)-N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-1-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-[(E)-N-(aminocarbonylamino)-C-methyl-carbonimidoyl]-1-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-methyl-2-[(E)-C-methyl-N-ureido-carbonimidoyl]indol-3-yl]acetic acid CAS Name: 2-[2-[(1E)-1-(carbamoylhydrazinylidene)ethyl]-1-methyl-3-indolyl]acetic acid IUPAC Name: 2-[2-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-1-methylindol-3-yl]acetic acid Traditional Name: 2-[1-methyl-2-[(E)-C-methyl-N-ureido-carbonimidoyl]indol-3-yl]acetic acid Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)N)C1=C(C2=CC=CC=C2N1C)CC(=O)O

Isomeric SMILES

C/C(=N\NC(=O)N)/C1=C(C2=CC=CC=C2N1C)CC(=O)O

InChI

InChI=1S/C14H16N4O3/c1-8(16-17-14(15)21)13-10(7-12(19)20)9-5-3-4-6-11(9)18(13)2/h3-6H,7H2,1-2H3,(H,19,20)(H3,15,17,21)/b16-8+