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

Systemtic Name: ethyl 4-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(2-methyl-3-nitro-anilino)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-(2-methyl-3-nitroanilino)-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-methyl-3-nitroanilino)-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-keto-2-(2-methyl-3-nitro-anilino)ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H19N5O8 MolecularWeight: 469.40426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O8/c1-3-33-21(28)20-18(11-24(23-20)14-7-9-15(10-8-14)25(29)30)34-12-19(27)22-16-5-4-6-17(13(16)2)26(31)32/h4-11H,3,12H2,1-2H3,(H,22,27)