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

Systemtic Name: ethyl 4-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(2-ethoxyanilino)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-ethoxyanilino)-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-keto-2-(o-phenetidino)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:

CCOC1=CC=CC=C1NC(=O)COC2=CN(N=C2C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)COC2=CN(N=C2C(=O)OCC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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