N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(3-ethynylanilino)-2-oxo-ethyl]-5-(2-methoxyphenyl)isoxazole-3-carboxamide CAS Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-5-(2-methoxyphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(3-ethynylanilino)-2-keto-ethyl]-5-(2-methoxyphenyl)isoxazole-3-carboxamide Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NO2)C(=O)NCC(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NO2)C(=O)NCC(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C21H17N3O4/c1-3-14-7-6-8-15(11-14)23-20(25)13-22-21(26)17-12-19(28-24-17)16-9-4-5-10-18(16)27-2/h1,4-12H,13H2,2H3,(H,22,26)(H,23,25)