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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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