N-[(3-ethynylphenyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(3-ethynylphenyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(3-ethynylphenyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(3-ethynylanilino)-oxomethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(3-ethynylphenyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(3-ethynylphenyl)carbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)NC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)NC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H14N2O4/c1-2-12-4-3-5-14(10-12)19-18(22)20-17(21)13-6-7-15-16(11-13)24-9-8-23-15/h1,3-7,10-11H,8-9H2,(H2,19,20,21,22)