ethyl 3-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=NN2C3=CC=C(C=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=NN2C3=CC=C(C=C3)C)C)[N+](=O)[O-]

InChI

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