ethyl 4-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-(2-methoxy-5-methylanilino)-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-methoxy-5-methylanilino)-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-keto-2-(2-methoxy-5-methyl-anilino)ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1OCC(=O)NC2=C(C=CC(=C2)C)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC(=O)NC2=C(C=CC(=C2)C)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O7/c1-4-32-22(28)21-19(12-25(24-21)15-6-8-16(9-7-15)26(29)30)33-13-20(27)23-17-11-14(2)5-10-18(17)31-3/h5-12H,4,13H2,1-3H3,(H,23,27)