ethyl 4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C23H24N4O6 MolecularWeight: 452.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC2=CN(N=C2C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC2=CN(N=C2C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H24N4O6/c1-4-16-8-6-7-15(3)21(16)24-20(28)14-33-19-13-26(25-22(19)23(29)32-5-2)17-9-11-18(12-10-17)27(30)31/h6-13H,4-5,14H2,1-3H3,(H,24,28)