N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-nitro-benzamide

Systemtic Name: N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-nitro-benzamide Openeye Name: N-cyclopropyl-N-[[5-(2-methoxyphenyl)isoxazol-3-yl]methyl]-4-nitro-benzamide CAS Name: N-cyclopropyl-N-[[5-(2-methoxyphenyl)-3-isoxazolyl]methyl]-4-nitrobenzamide IUPAC Name: N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-nitrobenzamide Traditional Name: N-cyclopropyl-N-[[5-(2-methoxyphenyl)isoxazol-3-yl]methyl]-4-nitro-benzamide Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NO2)CN(C3CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NO2)CN(C3CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-28-19-5-3-2-4-18(19)20-12-15(22-29-20)13-23(16-10-11-16)21(25)14-6-8-17(9-7-14)24(26)27/h2-9,12,16H,10-11,13H2,1H3