[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NOC(=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NOC(=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H24N4O6/c1-12-6-13(2)10-23(9-12)16-5-4-15(8-17(16)24(27)28)20(26)29-11-19(25)21-18-7-14(3)30-22-18/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,21,22,25)