methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C19H22N4O6 MolecularWeight: 402.40118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H22N4O6/c1-12-17(13(2)29-20-12)11-21-4-6-22(7-5-21)18(24)14-8-15(19(25)28-3)10-16(9-14)23(26)27/h8-10H,4-7,11H2,1-3H3