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

Systemtic Name: 2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Openeye Name: 2-methyl-3-nitro-N-[2-(p-tolyl)-1,3-benzoxazol-5-yl]benzamide CAS Name: 2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide Traditional Name: 2-methyl-3-nitro-N-[2-(p-tolyl)-1,3-benzoxazol-5-yl]benzamide Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H17N3O4/c1-13-6-8-15(9-7-13)22-24-18-12-16(10-11-20(18)29-22)23-21(26)17-4-3-5-19(14(17)2)25(27)28/h3-12H,1-2H3,(H,23,26)