ethyl 4-[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-[(2-chlorophenyl)methylamino]-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-[(2-chlorophenyl)methylamino]-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-chlorophenyl)methylamino]-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-[(2-chlorobenzyl)amino]-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)NCC2=CC=CC=C2Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC(=O)NCC2=CC=CC=C2Cl)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN4O6/c1-2-31-21(28)20-18(12-25(24-20)15-7-9-16(10-8-15)26(29)30)32-13-19(27)23-11-14-5-3-4-6-17(14)22/h3-10,12H,2,11,13H2,1H3,(H,23,27)