[4-(phenylcarbamoyl)phenyl]methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C21H20N4O5 MolecularWeight: 408.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-14-20(25(28)29)15(2)24(23-14)12-19(26)30-13-16-8-10-17(11-9-16)21(27)22-18-6-4-3-5-7-18/h3-11H,12-13H2,1-2H3,(H,22,27)