2-[[(4-chloranyl-3-nitro-phenyl)carbonyl-cyclopropyl-amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide

Systemtic Name: 2-[[(4-chloranyl-3-nitro-phenyl)carbonyl-cyclopropyl-amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide Openeye Name: 2-[[(4-chloro-3-nitro-benzoyl)-cyclopropyl-amino]methyl]-N-cyclopropyl-oxazole-4-carboxamide CAS Name: 2-[[[(4-chloro-3-nitrophenyl)-oxomethyl]-cyclopropylamino]methyl]-N-cyclopropyl-4-oxazolecarboxamide IUPAC Name: 2-[[(4-chloro-3-nitrobenzoyl)-cyclopropylamino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide Traditional Name: 2-[[(4-chloro-3-nitro-benzoyl)-cyclopropyl-amino]methyl]-N-cyclopropyl-oxazole-4-carboxamide Formula: C18H17ClN4O5 MolecularWeight: 404.80438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=COC(=N2)CN(C3CC3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)C2=COC(=N2)CN(C3CC3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O5/c19-13-6-1-10(7-15(13)23(26)27)18(25)22(12-4-5-12)8-16-21-14(9-28-16)17(24)20-11-2-3-11/h1,6-7,9,11-12H,2-5,8H2,(H,20,24)