ethyl 5-methyl-1-[4-[(3-methyl-2-nitro-phenyl)carbonylamino]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[(3-methyl-2-nitro-phenyl)carbonylamino]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[(3-methyl-2-nitro-benzoyl)amino]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[[(3-methyl-2-nitrophenyl)-oxomethyl]amino]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[(3-methyl-2-nitrobenzoyl)amino]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[(3-methyl-2-nitro-benzoyl)amino]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H20N4O5/c1-4-30-21(27)18-12-22-24(14(18)3)16-10-8-15(9-11-16)23-20(26)17-7-5-6-13(2)19(17)25(28)29/h5-12H,4H2,1-3H3,(H,23,26)