[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C26H29N5O6 MolecularWeight: 507.53836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N5O6/c1-26(2,3)22-16-23(30(28-22)18-7-5-4-6-8-18)27-24(32)17-37-25(33)20-15-19(31(34)35)9-10-21(20)29-11-13-36-14-12-29/h4-10,15-16H,11-14,17H2,1-3H3,(H,27,32)