1,2,4-triazol-1-ylmethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: 1,2,4-triazol-1-ylmethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: 1,2,4-triazol-1-ylmethyl 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid 1,2,4-triazol-1-ylmethyl ester IUPAC Name: 1,2,4-triazol-1-ylmethyl 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid 1,2,4-triazol-1-ylmethyl ester Formula: C14H12N4O4 MolecularWeight: 300.26948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCN3C=NC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCN3C=NC=N3

InChI

InChI=1S/C14H12N4O4/c19-12(22-9-17-8-15-7-16-17)5-6-18-13(20)10-3-1-2-4-11(10)14(18)21/h1-4,7-8H,5-6,9H2