ethyl 3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(3,5-dimethyl-1-pyrazolyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2N3C(=CC(=N3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2N3C(=CC(=N3)C)C)[N+](=O)[O-]

InChI

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