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

Systemtic Name: ethyl 4-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-(3-chloro-2-methyl-anilino)-2-keto-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H19ClN4O6 MolecularWeight: 458.85176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O6/c1-3-31-21(28)20-18(11-25(24-20)14-7-9-15(10-8-14)26(29)30)32-12-19(27)23-17-6-4-5-16(22)13(17)2/h4-11H,3,12H2,1-2H3,(H,23,27)