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

Systemtic Name: ethyl 4-[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(2-acetylanilino)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-(2-acetylanilino)-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-acetylanilino)-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-(2-acetylanilino)-2-keto-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C22H20N4O7 MolecularWeight: 452.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1OCC(=O)NC2=CC=CC=C2C(=O)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC(=O)NC2=CC=CC=C2C(=O)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O7/c1-3-32-22(29)21-19(12-25(24-21)15-8-10-16(11-9-15)26(30)31)33-13-20(28)23-18-7-5-4-6-17(18)14(2)27/h4-12H,3,13H2,1-2H3,(H,23,28)