methyl 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H20N4O5/c1-13-19(14(2)24(23-13)17-7-5-4-6-8-17)12-22-20(26)15-9-16(21(27)30-3)11-18(10-15)25(28)29/h4-11H,12H2,1-3H3,(H,22,26)