[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrrol-1-ylbenzoate Openeye Name: [1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C18H17N3O4/c1-12-11-16(20-25-12)19-17(22)13(2)24-18(23)14-5-7-15(8-6-14)21-9-3-4-10-21/h3-11,13H,1-2H3,(H,19,20,22)