[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C19H16ClN3O6 MolecularWeight: 417.79984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H16ClN3O6/c1-10-6-15(12(3)22(10)18-7-11(2)29-21-18)17(24)9-28-19(25)14-5-4-13(23(26)27)8-16(14)20/h4-8H,9H2,1-3H3