[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [1-methyl-2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [1-[(3-methyl-5-isoxazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-keto-1-methyl-2-[(3-methylisoxazol-5-yl)amino]ethyl] ester Formula: C17H19N3O8 MolecularWeight: 393.34806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC(=NO2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC(=NO2)C)OC

InChI

InChI=1S/C17H19N3O8/c1-5-26-14-8-12(20(23)24)11(7-13(14)25-4)17(22)27-10(3)16(21)18-15-6-9(2)19-28-15/h6-8,10H,5H2,1-4H3,(H,18,21)