ethyl 4-[2-[(2-methyl-2-morpholin-4-yl-propyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-[(2-methyl-2-morpholin-4-yl-propyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-[(2-methyl-2-morpholino-propyl)amino]-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-[[2-methyl-2-(4-morpholinyl)propyl]amino]-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-keto-2-[(2-methyl-2-morpholino-propyl)amino]ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C22H29N5O7 MolecularWeight: 475.49496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1OCC(=O)NCC(C)(C)N2CCOCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC(=O)NCC(C)(C)N2CCOCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O7/c1-4-33-21(29)20-18(13-26(24-20)16-5-7-17(8-6-16)27(30)31)34-14-19(28)23-15-22(2,3)25-9-11-32-12-10-25/h5-8,13H,4,9-12,14-15H2,1-3H3,(H,23,28)