ethyl 1-[3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[(4-ethoxy-3-nitro-benzoyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-ethoxy-3-nitrobenzoyl)amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[(4-ethoxy-3-nitro-benzoyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)N3C(=C(C=N3)C(=O)OCC)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)N3C(=C(C=N3)C(=O)OCC)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6/c1-4-31-20-10-9-15(11-19(20)26(29)30)21(27)24-16-7-6-8-17(12-16)25-14(3)18(13-23-25)22(28)32-5-2/h6-13H,4-5H2,1-3H3,(H,24,27)