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

Systemtic Name: N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-nitro-benzamide Openeye Name: N-cyclopropyl-N-[[5-(2-methoxyphenyl)isoxazol-3-yl]methyl]-3-nitro-benzamide CAS Name: N-cyclopropyl-N-[[5-(2-methoxyphenyl)-3-isoxazolyl]methyl]-3-nitrobenzamide IUPAC Name: N-cyclopropyl-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-nitrobenzamide Traditional Name: N-cyclopropyl-N-[[5-(2-methoxyphenyl)isoxazol-3-yl]methyl]-3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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