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

Systemtic Name: ethyl 4-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-(5-chloro-2-methoxy-anilino)-2-keto-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H19ClN4O7 MolecularWeight: 474.85116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O7/c1-3-32-21(28)20-18(11-25(24-20)14-5-7-15(8-6-14)26(29)30)33-12-19(27)23-16-10-13(22)4-9-17(16)31-2/h4-11H,3,12H2,1-2H3,(H,23,27)