[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 3-cyanobenzoate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 3-cyanobenzoate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H15N3O4/c1-3-13(15(20)18-14-7-10(2)23-19-14)22-16(21)12-6-4-5-11(8-12)9-17/h4-8,13H,3H2,1-2H3,(H,18,19,20)