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

Systemtic Name: ethyl 4-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-(3-chloro-4-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=CC(=C(C=C2)C)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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