methyl 2-[3-(3-cyanophenyl)-5-[(4-cyanophenyl)carbamoyl]-4H-1,2-oxazol-5-yl]ethanoate

Systemtic Name: methyl 2-[3-(3-cyanophenyl)-5-[(4-cyanophenyl)carbamoyl]-4H-1,2-oxazol-5-yl]ethanoate Openeye Name: methyl 2-[3-(3-cyanophenyl)-5-[(4-cyanophenyl)carbamoyl]-4H-isoxazol-5-yl]acetate CAS Name: 2-[5-[(4-cyanoanilino)-oxomethyl]-3-(3-cyanophenyl)-4H-isoxazol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3-cyanophenyl)-5-[(4-cyanophenyl)carbamoyl]-4H-1,2-oxazol-5-yl]acetate Traditional Name: 2-[3-(3-cyanophenyl)-5-[(4-cyanophenyl)carbamoyl]-2-isoxazolin-5-yl]acetic acid methyl ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H16N4O4/c1-28-19(26)11-21(20(27)24-17-7-5-14(12-22)6-8-17)10-18(25-29-21)16-4-2-3-15(9-16)13-23/h2-9H,10-11H2,1H3,(H,24,27)