ethyl 3-nitro-5-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]anilino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]benzoate Traditional Name: 3-nitro-5-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]benzoic acid ethyl ester Formula: C22H21N5O6 MolecularWeight: 451.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C(C)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C(C)N3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O6/c1-3-33-22(30)16-10-15(11-19(12-16)27(31)32)21(29)25-18-7-4-6-17(13-18)24-20(28)14(2)26-9-5-8-23-26/h4-14H,3H2,1-2H3,(H,24,28)(H,25,29)