ethyl 3-[[2-(4-acetamido-3-nitro-phenyl)carbonylpyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(4-acetamido-3-nitro-phenyl)carbonylpyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(4-acetamido-3-nitro-benzoyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[(4-acetamido-3-nitrophenyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-acetamido-3-nitrobenzoyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(4-acetamido-3-nitro-benzoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C22H23N5O7 MolecularWeight: 469.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)C3=CC(=C(C=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)C3=CC(=C(C=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O7/c1-3-34-21(30)16-6-4-7-17(12-16)24-22(31)26-11-5-10-25(26)20(29)15-8-9-18(23-14(2)28)19(13-15)27(32)33/h4,6-9,12-13H,3,5,10-11H2,1-2H3,(H,23,28)(H,24,31)