azane; 2-benzofuran-1,3-dione; 2-phenylethanamine

Systemtic Name: azane; 2-benzofuran-1,3-dione; 2-phenylethanamine Openeye Name: ammonia; isobenzofuran-1,3-dione; 2-phenylethanamine CAS Name: ammonia; isobenzofuran-1,3-dione; 2-phenylethanamine IUPAC Name: azane; 2-benzofuran-1,3-dione; 2-phenylethanamine Traditional Name: ammonia; phenethylamine; phthalic anhydride Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN.C1=CC=C2C(=C1)C(=O)OC2=O.N

Isomeric SMILES

C1=CC=C(C=C1)CCN.C1=CC=C2C(=C1)C(=O)OC2=O.N

InChI

InChI=1S/C8H11N.C8H4O3.H3N/c9-7-6-8-4-2-1-3-5-8;9-7-5-3-1-2-4-6(5)8(10)11-7;/h1-5H,6-7,9H2;1-4H;1H3