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

Systemtic Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NOC(=C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NOC(=C2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H19N3O6/c1-12-15(5-4-6-16(12)23(25)26)20(24)21-11-14-10-18(29-22-14)13-7-8-17(27-2)19(9-13)28-3/h4-10H,11H2,1-3H3,(H,21,24)