3-(1-ethanoylindol-3-yl)-2-isocyanato-propanoic acid

Systemtic Name: 3-(1-ethanoylindol-3-yl)-2-isocyanato-propanoic acid Openeye Name: 3-(1-acetylindol-3-yl)-2-isocyanato-propanoic acid CAS Name: 3-(1-acetyl-3-indolyl)-2-isocyanatopropanoic acid IUPAC Name: 3-(1-acetylindol-3-yl)-2-isocyanatopropanoic acid Traditional Name: 3-(1-acetylindol-3-yl)-2-isocyanato-propionic acid Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)O)N=C=O

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)O)N=C=O

InChI

InChI=1S/C14H12N2O4/c1-9(18)16-7-10(6-12(14(19)20)15-8-17)11-4-2-3-5-13(11)16/h2-5,7,12H,6H2,1H3,(H,19,20)